REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1yi0_1_A DATA FIRST_RESID 86 DATA SEQUENCE TFISRFAPDQ PRKGADILVE ALERQGVETV FAYPGGASME IHQALTRSSS DATA SEQUENCE IRNVLPRHEQ GGVFAAEGYA RSSGKPGICI ATSGPGATNL VSGLADALLD DATA SEQUENCE SVPLVAITGQ VPRRMIGTDA FQETPIVEVT RSITKHNYLV MDVEDIPRII DATA SEQUENCE EEAFFLATSG RPGPVLVDVP KDIQQQLAIP NWEQAMRLPG YMSRMPKPPE DATA SEQUENCE DSHLEQIVRL ISESKKPVLY VGGGCLNSSD ELGRFVELTG IPVASTLMGL DATA SEQUENCE GSYPXDDELS LHMLGMHGTV YANYAVEHSD LLLAFGVRFD DRVTGKLEAF DATA SEQUENCE ASRAKIVHID IDSAEIGKNK TPHVSVCGDV KLALQGMNKV LENRAEELKL DATA SEQUENCE DFGVWRNELN VQKQKFPLSF KTFGEAIPPQ YAIKVLDELT DGKAIISTGV DATA SEQUENCE GQHQMWAAQF YNYKKPRQWL SSGGLGAMGF GLPAAIGASV ANPDAIVVDI DATA SEQUENCE DGDGSFIMNV QELATIRVEN LPVKVLLLNN QHLGMVMQWE DRFYKANRAH DATA SEQUENCE TFLGDPAQED EIFPNMLLFA AACGIPAARV TKKADLREAI QTMLDTPGPY DATA SEQUENCE LLDVICPHQE HVLPMIPSGG TFNDVITEGD GR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.723 174.700 0.039 0.000 1.109 86 T CA 0.000 62.121 62.100 0.034 0.000 1.349 86 T CB 0.000 68.895 68.868 0.045 0.000 0.612 87 F N 3.054 122.960 119.950 -0.073 0.000 2.472 87 F HA 0.616 5.143 4.527 0.001 0.000 0.364 87 F C 0.405 176.150 175.800 -0.093 0.000 1.090 87 F CA -1.021 56.917 58.000 -0.102 0.000 1.188 87 F CB 0.368 39.270 39.000 -0.163 0.000 1.105 87 F HN 0.483 nan 8.300 nan 0.000 0.536 88 I N 5.386 125.495 120.570 -0.768 0.000 2.297 88 I HA 0.439 4.609 4.170 0.001 0.000 0.291 88 I C 0.463 176.083 176.117 -0.829 0.000 1.033 88 I CA -0.159 60.803 61.300 -0.564 0.000 1.253 88 I CB 0.398 38.178 38.000 -0.366 0.000 1.396 88 I HN 0.814 nan 8.210 nan 0.000 0.476 89 S N 3.583 119.051 115.700 -0.386 0.000 2.562 89 S HA 0.477 4.947 4.470 0.001 0.000 0.256 89 S C 1.220 175.743 174.600 -0.129 0.000 1.248 89 S CA 0.624 58.765 58.200 -0.099 0.000 0.988 89 S CB 0.437 63.764 63.200 0.211 0.000 1.035 89 S HN 0.783 nan 8.310 nan 0.000 0.548 90 R N -1.338 119.134 120.500 -0.047 0.000 2.539 90 R HA 0.339 4.680 4.340 0.001 0.000 0.342 90 R C -1.229 174.699 176.300 -0.622 0.000 0.941 90 R CA -0.042 55.849 56.100 -0.349 0.000 1.146 90 R CB 0.541 30.562 30.300 -0.465 0.000 1.541 90 R HN 0.403 nan 8.270 nan 0.000 0.525 91 F N 0.159 120.138 119.950 0.048 0.000 2.576 91 F HA 0.596 5.123 4.527 0.001 0.000 0.313 91 F C 0.230 176.068 175.800 0.063 0.000 1.078 91 F CA -1.632 56.404 58.000 0.060 0.000 0.921 91 F CB 1.237 40.290 39.000 0.089 0.000 1.232 91 F HN -0.174 nan 8.300 nan 0.000 0.459 92 A N 2.727 125.678 122.820 0.218 0.000 2.488 92 A HA 0.341 4.662 4.320 0.001 0.000 0.249 92 A C -1.841 175.842 177.584 0.165 0.000 1.083 92 A CA -1.042 51.081 52.037 0.142 0.000 0.768 92 A CB -0.140 18.919 19.000 0.099 0.000 1.017 92 A HN 0.639 nan 8.150 nan 0.000 0.496 93 P HA -0.181 nan 4.420 nan 0.000 0.221 93 P C 0.582 177.941 177.300 0.100 0.000 1.141 93 P CA 1.787 64.972 63.100 0.143 0.000 0.794 93 P CB 0.178 31.950 31.700 0.120 0.000 0.764 94 D N -2.557 117.892 120.400 0.082 0.000 2.417 94 D HA -0.030 4.610 4.640 0.001 0.000 0.207 94 D C 0.706 177.037 176.300 0.052 0.000 1.075 94 D CA 0.024 54.056 54.000 0.053 0.000 0.851 94 D CB -0.367 40.458 40.800 0.042 0.000 0.976 94 D HN 0.202 nan 8.370 nan 0.000 0.505 95 Q N 1.713 121.562 119.800 0.083 0.000 2.295 95 Q HA 0.275 4.615 4.340 0.001 0.000 0.259 95 Q C -2.564 173.471 176.000 0.058 0.000 0.976 95 Q CA -1.710 54.146 55.803 0.088 0.000 0.923 95 Q CB 1.383 30.208 28.738 0.144 0.000 1.185 95 Q HN -0.107 nan 8.270 nan 0.000 0.410 96 P HA 0.218 nan 4.420 nan 0.000 0.278 96 P C -1.526 175.735 177.300 -0.066 0.000 1.238 96 P CA -0.315 62.764 63.100 -0.035 0.000 0.794 96 P CB 0.941 32.624 31.700 -0.029 0.000 0.955 97 R N 0.555 120.952 120.500 -0.171 0.000 2.855 97 R HA 0.548 4.889 4.340 0.001 0.000 0.266 97 R C -0.556 175.626 176.300 -0.196 0.000 1.034 97 R CA -1.127 54.816 56.100 -0.262 0.000 0.944 97 R CB 0.463 30.298 30.300 -0.775 0.000 1.219 97 R HN 0.163 nan 8.270 nan 0.000 0.474 98 K N 0.182 120.490 120.400 -0.153 0.000 2.414 98 K HA 0.118 4.438 4.320 0.001 0.000 0.272 98 K C 1.310 177.846 176.600 -0.108 0.000 0.993 98 K CA 0.570 56.801 56.287 -0.094 0.000 0.964 98 K CB 0.547 33.021 32.500 -0.043 0.000 0.925 98 K HN 0.823 nan 8.250 nan 0.000 0.487 99 G N 1.701 110.454 108.800 -0.078 0.000 2.469 99 G HA2 -0.326 3.634 3.960 0.001 0.000 0.220 99 G HA3 -0.326 3.634 3.960 0.001 0.000 0.220 99 G C 1.454 176.324 174.900 -0.049 0.000 1.136 99 G CA 1.153 46.209 45.100 -0.073 0.000 0.759 99 G HN 0.691 nan 8.290 nan 0.000 0.562 100 A N 1.045 123.847 122.820 -0.031 0.000 1.908 100 A HA -0.093 4.227 4.320 0.001 0.000 0.218 100 A C 2.099 179.683 177.584 0.000 0.000 1.181 100 A CA 2.012 54.045 52.037 -0.007 0.000 0.627 100 A CB -0.435 18.569 19.000 0.007 0.000 0.818 100 A HN 0.318 nan 8.150 nan 0.000 0.445 101 D N -0.201 120.184 120.400 -0.027 0.000 2.178 101 D HA -0.089 4.552 4.640 0.001 0.000 0.202 101 D C 1.894 178.188 176.300 -0.010 0.000 0.974 101 D CA 1.139 55.125 54.000 -0.023 0.000 0.841 101 D CB -0.188 40.506 40.800 -0.177 0.000 0.953 101 D HN 0.543 nan 8.370 nan 0.000 0.478 102 I N 0.621 121.167 120.570 -0.039 0.000 2.252 102 I HA -0.223 3.947 4.170 0.001 0.000 0.245 102 I C 2.438 178.651 176.117 0.159 0.000 1.102 102 I CA 0.358 61.699 61.300 0.068 0.000 1.385 102 I CB -0.107 37.846 38.000 -0.079 0.000 1.064 102 I HN -0.012 nan 8.210 nan 0.000 0.414 103 L N 0.634 121.896 121.223 0.065 0.000 2.042 103 L HA -0.163 4.177 4.340 0.001 0.000 0.210 103 L C 2.362 179.279 176.870 0.078 0.000 1.076 103 L CA 1.832 56.712 54.840 0.066 0.000 0.749 103 L CB -0.427 41.648 42.059 0.028 0.000 0.893 103 L HN -0.034 nan 8.230 nan 0.000 0.432 104 V N -0.271 119.686 119.914 0.071 0.000 2.358 104 V HA -0.272 3.848 4.120 0.001 0.000 0.246 104 V C 2.569 178.702 176.094 0.065 0.000 1.047 104 V CA 1.941 64.278 62.300 0.061 0.000 1.035 104 V CB -0.679 31.185 31.823 0.068 0.000 0.658 104 V HN 0.606 nan 8.190 nan 0.000 0.452 105 E N 0.352 120.622 120.200 0.117 0.000 2.110 105 E HA -0.210 4.140 4.350 0.001 0.000 0.193 105 E C 2.213 178.693 176.600 -0.200 0.000 0.988 105 E CA 1.201 57.625 56.400 0.040 0.000 0.804 105 E CB -0.221 29.557 29.700 0.130 0.000 0.745 105 E HN 0.566 nan 8.360 nan 0.000 0.458 106 A N 0.892 123.721 122.820 0.015 0.000 1.940 106 A HA -0.173 4.147 4.320 0.001 0.000 0.219 106 A C 2.133 179.599 177.584 -0.197 0.000 1.176 106 A CA 1.202 53.244 52.037 0.007 0.000 0.631 106 A CB -0.544 18.579 19.000 0.206 0.000 0.814 106 A HN 0.313 nan 8.150 nan 0.000 0.446 107 L N -1.008 120.137 121.223 -0.131 0.000 2.072 107 L HA -0.148 4.192 4.340 0.001 0.000 0.205 107 L C 2.565 179.315 176.870 -0.201 0.000 1.079 107 L CA 1.431 56.167 54.840 -0.174 0.000 0.752 107 L CB -0.671 41.376 42.059 -0.021 0.000 0.906 107 L HN 0.448 nan 8.230 nan 0.000 0.436 108 E N 0.276 120.400 120.200 -0.126 0.000 2.110 108 E HA -0.219 4.131 4.350 0.001 0.000 0.193 108 E C 2.235 178.729 176.600 -0.177 0.000 0.988 108 E CA 0.990 57.363 56.400 -0.045 0.000 0.804 108 E CB -0.101 29.680 29.700 0.136 0.000 0.745 108 E HN 0.408 nan 8.360 nan 0.000 0.458 109 R N 0.358 120.543 120.500 -0.525 0.000 2.235 109 R HA -0.035 4.305 4.340 0.001 0.000 0.213 109 R C 1.890 177.921 176.300 -0.449 0.000 1.059 109 R CA 0.580 56.214 56.100 -0.775 0.000 0.997 109 R CB 0.145 29.796 30.300 -1.083 0.000 0.884 109 R HN 0.096 nan 8.270 nan 0.000 0.462 110 Q N -0.797 118.752 119.800 -0.420 0.000 2.392 110 Q HA 0.097 4.437 4.340 0.001 0.000 0.203 110 Q C 0.951 176.805 176.000 -0.243 0.000 0.917 110 Q CA 0.779 56.315 55.803 -0.445 0.000 0.939 110 Q CB 1.333 29.478 28.738 -0.987 0.000 1.063 110 Q HN 0.533 nan 8.270 nan 0.000 0.516 111 G N 0.341 109.049 108.800 -0.154 0.000 2.141 111 G HA2 -0.237 3.724 3.960 0.001 0.000 0.231 111 G HA3 -0.237 3.724 3.960 0.001 0.000 0.231 111 G C 0.196 175.106 174.900 0.015 0.000 0.984 111 G CA 0.203 45.283 45.100 -0.034 0.000 0.660 111 G HN 0.196 nan 8.290 nan 0.000 0.525 112 V N 0.446 120.351 119.914 -0.015 0.000 2.655 112 V HA 0.312 4.433 4.120 0.001 0.000 0.300 112 V C 1.227 177.345 176.094 0.040 0.000 1.044 112 V CA 1.298 63.628 62.300 0.050 0.000 1.095 112 V CB 1.309 33.162 31.823 0.050 0.000 0.952 112 V HN 0.525 nan 8.190 nan 0.000 0.485 113 E N 1.416 121.653 120.200 0.061 0.000 2.474 113 E HA 0.147 4.497 4.350 0.001 0.000 0.215 113 E C -0.094 176.495 176.600 -0.018 0.000 0.867 113 E CA 0.185 56.610 56.400 0.042 0.000 1.135 113 E CB 1.074 30.829 29.700 0.092 0.000 1.147 113 E HN 0.763 nan 8.360 nan 0.000 0.534 114 T N 1.381 115.883 114.554 -0.086 0.000 2.886 114 T HA 0.524 4.874 4.350 0.001 0.000 0.292 114 T C -0.588 173.849 174.700 -0.439 0.000 1.012 114 T CA -0.816 61.107 62.100 -0.295 0.000 0.982 114 T CB 2.269 70.932 68.868 -0.341 0.000 1.018 114 T HN 0.015 nan 8.240 nan 0.000 0.451 115 V N -0.751 118.860 119.914 -0.505 0.000 3.007 115 V HA 0.857 4.977 4.120 0.001 0.000 0.311 115 V C -1.808 173.935 176.094 -0.585 0.000 1.120 115 V CA -1.362 60.711 62.300 -0.379 0.000 0.980 115 V CB 1.872 33.594 31.823 -0.169 0.000 1.033 115 V HN 0.769 nan 8.190 nan 0.000 0.429 116 F N 2.527 122.435 119.950 -0.070 0.000 2.359 116 F HA 0.880 5.407 4.527 0.001 0.000 0.369 116 F C 0.558 176.374 175.800 0.028 0.000 1.084 116 F CA -0.181 57.811 58.000 -0.014 0.000 1.096 116 F CB 1.507 40.496 39.000 -0.017 0.000 1.335 116 F HN 0.927 nan 8.300 nan 0.000 0.457 117 A N 2.970 125.882 122.820 0.152 0.000 2.355 117 A HA 0.679 5.000 4.320 0.001 0.000 0.317 117 A C -2.095 175.703 177.584 0.356 0.000 1.094 117 A CA -0.676 51.487 52.037 0.209 0.000 0.764 117 A CB 0.887 19.895 19.000 0.013 0.000 1.230 117 A HN 0.622 nan 8.150 nan 0.000 0.448 118 Y N 4.557 124.980 120.300 0.205 0.000 2.328 118 Y HA 0.487 5.037 4.550 0.001 0.000 0.333 118 Y C -2.235 173.642 175.900 -0.039 0.000 0.958 118 Y CA -2.182 55.960 58.100 0.069 0.000 1.167 118 Y CB 1.901 40.365 38.460 0.006 0.000 1.151 118 Y HN 0.530 nan 8.280 nan 0.000 0.470 119 P HA 0.282 nan 4.420 nan 0.000 0.268 119 P C -0.395 176.754 177.300 -0.251 0.000 1.205 119 P CA 0.282 62.908 63.100 -0.789 0.000 0.771 119 P CB 1.497 32.608 31.700 -0.982 0.000 0.858 120 G N 0.515 109.238 108.800 -0.128 0.000 2.660 120 G HA2 0.465 4.425 3.960 0.001 0.000 0.290 120 G HA3 0.465 4.425 3.960 0.001 0.000 0.290 120 G C 0.804 175.697 174.900 -0.012 0.000 1.432 120 G CA -0.170 44.913 45.100 -0.028 0.000 0.807 120 G HN 0.445 nan 8.290 nan 0.000 0.485 121 G N 0.392 109.200 108.800 0.014 0.000 2.553 121 G HA2 0.025 3.985 3.960 0.001 0.000 0.218 121 G HA3 0.025 3.985 3.960 0.001 0.000 0.218 121 G C 2.002 176.927 174.900 0.041 0.000 1.195 121 G CA 2.058 47.186 45.100 0.046 0.000 0.779 121 G HN 1.513 nan 8.290 nan 0.000 0.577 122 A N 0.315 123.149 122.820 0.024 0.000 2.178 122 A HA 0.173 4.493 4.320 0.001 0.000 0.218 122 A C 2.293 179.902 177.584 0.041 0.000 1.157 122 A CA 2.190 54.242 52.037 0.025 0.000 0.689 122 A CB -0.283 18.715 19.000 -0.003 0.000 0.787 122 A HN 0.925 nan 8.150 nan 0.000 0.465 123 S N -2.263 113.475 115.700 0.063 0.000 2.730 123 S HA 0.267 4.737 4.470 0.001 0.000 0.244 123 S C 1.407 176.108 174.600 0.168 0.000 1.022 123 S CA 0.140 58.410 58.200 0.117 0.000 1.014 123 S CB -0.402 62.901 63.200 0.171 0.000 0.963 123 S HN 0.393 nan 8.310 nan 0.000 0.540 124 M N 1.604 121.260 119.600 0.093 0.000 2.082 124 M HA -0.126 4.355 4.480 0.001 0.000 0.258 124 M C 2.153 178.515 176.300 0.104 0.000 1.069 124 M CA 1.693 57.041 55.300 0.081 0.000 1.102 124 M CB -0.466 32.156 32.600 0.035 0.000 1.336 124 M HN 0.331 nan 8.290 nan 0.000 0.404 125 E N 0.582 120.826 120.200 0.074 0.000 2.070 125 E HA -0.192 4.158 4.350 0.001 0.000 0.197 125 E C 1.922 178.557 176.600 0.059 0.000 1.004 125 E CA 1.456 57.890 56.400 0.057 0.000 0.805 125 E CB -0.504 29.218 29.700 0.037 0.000 0.744 125 E HN 0.595 nan 8.360 nan 0.000 0.451 126 I N 0.730 121.335 120.570 0.058 0.000 2.208 126 I HA -0.282 3.889 4.170 0.001 0.000 0.245 126 I C 2.508 178.604 176.117 -0.035 0.000 1.097 126 I CA 1.171 62.475 61.300 0.006 0.000 1.363 126 I CB -0.423 37.567 38.000 -0.017 0.000 1.051 126 I HN 0.183 nan 8.210 nan 0.000 0.413 127 H N 0.427 119.500 119.070 0.006 0.000 2.387 127 H HA -0.128 4.428 4.556 0.001 0.000 0.299 127 H C 2.280 177.608 175.328 0.001 0.000 1.090 127 H CA 1.117 57.162 56.048 -0.005 0.000 1.332 127 H CB 0.086 29.835 29.762 -0.021 0.000 1.386 127 H HN 0.416 nan 8.280 nan 0.000 0.516 128 Q N 0.384 120.252 119.800 0.113 0.000 2.046 128 Q HA -0.046 4.295 4.340 0.001 0.000 0.200 128 Q C 2.570 178.605 176.000 0.059 0.000 0.975 128 Q CA 1.065 56.912 55.803 0.073 0.000 0.836 128 Q CB -0.422 28.353 28.738 0.062 0.000 0.896 128 Q HN 0.409 nan 8.270 nan 0.000 0.428 129 A N 0.726 123.579 122.820 0.055 0.000 1.972 129 A HA -0.156 4.164 4.320 0.001 0.000 0.219 129 A C 2.082 179.696 177.584 0.050 0.000 1.169 129 A CA 1.005 53.082 52.037 0.068 0.000 0.635 129 A CB -0.459 18.576 19.000 0.058 0.000 0.810 129 A HN 0.252 nan 8.150 nan 0.000 0.446 130 L N 0.485 121.712 121.223 0.008 0.000 2.046 130 L HA -0.130 4.210 4.340 0.001 0.000 0.208 130 L C 2.928 179.798 176.870 0.000 0.000 1.077 130 L CA 2.607 57.435 54.840 -0.020 0.000 0.747 130 L CB -1.283 40.721 42.059 -0.091 0.000 0.896 130 L HN 0.657 nan 8.230 nan 0.000 0.432 131 T N -3.932 110.632 114.554 0.016 0.000 2.962 131 T HA -0.172 4.178 4.350 0.001 0.000 0.270 131 T C 1.988 176.696 174.700 0.013 0.000 1.088 131 T CA 0.834 62.943 62.100 0.014 0.000 1.127 131 T CB -0.299 68.582 68.868 0.022 0.000 0.883 131 T HN 0.280 nan 8.240 nan 0.000 0.493 132 R N 1.111 121.628 120.500 0.029 0.000 2.200 132 R HA 0.233 4.573 4.340 0.001 0.000 0.208 132 R C 1.437 177.744 176.300 0.011 0.000 1.033 132 R CA 0.257 56.372 56.100 0.025 0.000 1.000 132 R CB -0.053 30.287 30.300 0.068 0.000 0.906 132 R HN 0.350 nan 8.270 nan 0.000 0.462 133 S N -0.031 115.682 115.700 0.021 0.000 2.576 133 S HA 0.055 4.526 4.470 0.001 0.000 0.276 133 S C 1.064 175.658 174.600 -0.010 0.000 1.339 133 S CA -0.375 57.833 58.200 0.013 0.000 1.039 133 S CB 1.111 64.323 63.200 0.020 0.000 0.902 133 S HN 0.305 nan 8.310 nan 0.000 0.516 134 S N 1.732 117.419 115.700 -0.021 0.000 2.559 134 S HA 0.083 4.553 4.470 0.001 0.000 0.226 134 S C 1.367 175.954 174.600 -0.023 0.000 1.030 134 S CA 0.328 58.511 58.200 -0.028 0.000 0.956 134 S CB -0.069 63.105 63.200 -0.043 0.000 0.900 134 S HN 0.761 nan 8.310 nan 0.000 0.510 135 S N 1.054 116.745 115.700 -0.015 0.000 2.492 135 S HA 0.421 4.891 4.470 0.001 0.000 0.218 135 S C 0.411 175.009 174.600 -0.003 0.000 1.016 135 S CA -0.430 57.766 58.200 -0.007 0.000 0.916 135 S CB -0.483 62.720 63.200 0.004 0.000 0.791 135 S HN 0.472 nan 8.310 nan 0.000 0.513 136 I N 3.134 123.697 120.570 -0.011 0.000 2.336 136 I HA 0.442 4.613 4.170 0.001 0.000 0.292 136 I C -0.017 176.071 176.117 -0.049 0.000 0.991 136 I CA -0.838 60.444 61.300 -0.029 0.000 1.227 136 I CB 1.452 39.432 38.000 -0.033 0.000 1.366 136 I HN 0.226 nan 8.210 nan 0.000 0.466 137 R N 6.219 126.676 120.500 -0.071 0.000 2.532 137 R HA 0.415 4.755 4.340 0.001 0.000 0.295 137 R C -0.933 175.273 176.300 -0.156 0.000 0.968 137 R CA -0.623 55.425 56.100 -0.086 0.000 0.916 137 R CB 1.210 31.472 30.300 -0.064 0.000 1.124 137 R HN 0.683 nan 8.270 nan 0.000 0.463 138 N N 2.601 121.220 118.700 -0.135 0.000 2.362 138 N HA 0.282 5.022 4.740 0.001 0.000 0.298 138 N C -1.366 174.050 175.510 -0.157 0.000 1.048 138 N CA -0.682 52.263 53.050 -0.175 0.000 0.858 138 N CB 1.773 40.203 38.487 -0.096 0.000 1.218 138 N HN 0.375 nan 8.380 nan 0.000 0.488 139 V N 4.538 124.305 119.914 -0.246 0.000 2.294 139 V HA 0.198 4.318 4.120 0.001 0.000 0.272 139 V C 0.127 176.262 176.094 0.069 0.000 1.027 139 V CA -0.759 61.486 62.300 -0.091 0.000 0.823 139 V CB 0.748 32.496 31.823 -0.125 0.000 1.030 139 V HN 0.557 nan 8.190 nan 0.000 0.457 140 L N 10.179 131.448 121.223 0.078 0.000 2.407 140 L HA 0.454 4.794 4.340 0.001 0.000 0.282 140 L C -1.700 175.281 176.870 0.185 0.000 1.110 140 L CA -0.598 54.312 54.840 0.117 0.000 0.863 140 L CB 0.424 42.499 42.059 0.026 0.000 1.207 140 L HN 0.385 nan 8.230 nan 0.000 0.454 141 P HA 0.236 nan 4.420 nan 0.000 0.289 141 P C -0.387 177.093 177.300 0.300 0.000 1.299 141 P CA -0.334 62.911 63.100 0.241 0.000 0.766 141 P CB 0.933 32.756 31.700 0.204 0.000 1.226 142 R N -2.582 118.026 120.500 0.180 0.000 2.397 142 R HA 0.274 4.614 4.340 0.001 0.000 0.241 142 R C -0.015 176.272 176.300 -0.022 0.000 0.914 142 R CA 0.107 56.310 56.100 0.171 0.000 1.071 142 R CB -0.802 29.558 30.300 0.101 0.000 1.116 142 R HN 0.630 nan 8.270 nan 0.000 0.524 143 H N -0.806 118.132 119.070 -0.220 0.000 3.123 143 H HA 0.117 4.673 4.556 0.001 0.000 0.346 143 H C 0.298 175.437 175.328 -0.314 0.000 1.138 143 H CA -0.427 55.406 56.048 -0.359 0.000 1.273 143 H CB 1.386 31.005 29.762 -0.238 0.000 1.926 143 H HN -0.070 nan 8.280 nan 0.000 0.524 144 E N 3.034 123.045 120.200 -0.315 0.000 2.130 144 E HA -0.311 4.039 4.350 0.001 0.000 0.196 144 E C 1.573 178.137 176.600 -0.060 0.000 0.998 144 E CA 1.450 57.763 56.400 -0.146 0.000 0.806 144 E CB -0.034 29.548 29.700 -0.197 0.000 0.738 144 E HN 0.761 nan 8.360 nan 0.000 0.459 145 Q N 1.007 120.852 119.800 0.074 0.000 2.124 145 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 145 Q C 2.234 178.000 176.000 -0.390 0.000 0.977 145 Q CA 1.719 57.334 55.803 -0.313 0.000 0.850 145 Q CB -0.354 28.111 28.738 -0.455 0.000 0.901 145 Q HN 0.323 nan 8.270 nan 0.000 0.429 146 G N -0.183 108.519 108.800 -0.162 0.000 2.418 146 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 146 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 146 G C 1.288 176.132 174.900 -0.093 0.000 1.158 146 G CA 0.619 45.664 45.100 -0.091 0.000 0.771 146 G HN 0.526 nan 8.290 nan 0.000 0.545 147 G N 0.771 109.539 108.800 -0.053 0.000 2.446 147 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 147 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 147 G C 1.855 176.681 174.900 -0.123 0.000 1.168 147 G CA 1.914 47.007 45.100 -0.011 0.000 0.771 147 G HN 0.407 nan 8.290 nan 0.000 0.551 148 V N 0.082 119.911 119.914 -0.141 0.000 2.261 148 V HA -0.130 3.990 4.120 0.001 0.000 0.246 148 V C 2.512 178.585 176.094 -0.035 0.000 1.047 148 V CA 1.769 63.997 62.300 -0.120 0.000 1.015 148 V CB -1.163 30.550 31.823 -0.184 0.000 0.642 148 V HN 0.387 nan 8.190 nan 0.000 0.446 149 F N 0.944 120.803 119.950 -0.151 0.000 2.161 149 F HA -0.176 4.351 4.527 0.001 0.000 0.300 149 F C 2.677 178.240 175.800 -0.395 0.000 1.089 149 F CA 0.851 58.719 58.000 -0.220 0.000 1.282 149 F CB -0.356 38.496 39.000 -0.246 0.000 1.010 149 F HN 0.192 nan 8.300 nan 0.000 0.485 150 A N 0.249 122.897 122.820 -0.287 0.000 1.898 150 A HA -0.117 4.204 4.320 0.001 0.000 0.216 150 A C 2.344 179.443 177.584 -0.809 0.000 1.181 150 A CA 1.554 53.209 52.037 -0.637 0.000 0.620 150 A CB -1.076 17.364 19.000 -0.934 0.000 0.819 150 A HN 0.322 nan 8.150 nan 0.000 0.442 151 A N -0.355 122.038 122.820 -0.711 0.000 1.933 151 A HA -0.182 4.139 4.320 0.001 0.000 0.218 151 A C 1.959 179.518 177.584 -0.041 0.000 1.175 151 A CA 1.651 53.499 52.037 -0.314 0.000 0.628 151 A CB -0.509 18.438 19.000 -0.087 0.000 0.814 151 A HN 0.626 nan 8.150 nan 0.000 0.444 152 E N -0.798 119.395 120.200 -0.012 0.000 2.051 152 E HA -0.141 4.210 4.350 0.001 0.000 0.192 152 E C 2.212 178.851 176.600 0.065 0.000 0.991 152 E CA 0.863 57.322 56.400 0.097 0.000 0.799 152 E CB -0.381 29.475 29.700 0.260 0.000 0.748 152 E HN 0.613 nan 8.360 nan 0.000 0.449 153 G N 0.471 109.228 108.800 -0.071 0.000 2.446 153 G HA2 -0.317 3.643 3.960 0.001 0.000 0.217 153 G HA3 -0.317 3.643 3.960 0.001 0.000 0.217 153 G C 1.394 176.315 174.900 0.034 0.000 1.168 153 G CA 0.994 46.040 45.100 -0.091 0.000 0.771 153 G HN 0.292 nan 8.290 nan 0.000 0.551 154 Y N 1.876 122.143 120.300 -0.055 0.000 2.053 154 Y HA -0.116 4.434 4.550 0.001 0.000 0.277 154 Y C 3.035 178.972 175.900 0.062 0.000 1.159 154 Y CA 2.113 60.248 58.100 0.059 0.000 1.125 154 Y CB -0.398 38.169 38.460 0.179 0.000 0.969 154 Y HN 0.267 nan 8.280 nan 0.000 0.492 155 A N 0.504 123.510 122.820 0.310 0.000 1.851 155 A HA -0.247 4.073 4.320 0.001 0.000 0.216 155 A C 2.219 179.854 177.584 0.084 0.000 1.195 155 A CA 2.150 54.303 52.037 0.195 0.000 0.622 155 A CB -0.826 18.272 19.000 0.163 0.000 0.831 155 A HN 0.559 nan 8.150 nan 0.000 0.444 156 R N 0.117 120.659 120.500 0.070 0.000 2.139 156 R HA -0.131 4.210 4.340 0.001 0.000 0.243 156 R C 2.396 178.706 176.300 0.018 0.000 1.145 156 R CA 1.741 57.865 56.100 0.039 0.000 0.976 156 R CB -0.332 29.992 30.300 0.040 0.000 0.866 156 R HN 0.721 nan 8.270 nan 0.000 0.449 157 S N -1.010 114.690 115.700 -0.001 0.000 2.524 157 S HA 0.012 4.482 4.470 0.001 0.000 0.216 157 S C 1.643 176.216 174.600 -0.044 0.000 0.987 157 S CA 0.581 58.770 58.200 -0.019 0.000 0.909 157 S CB 0.468 63.648 63.200 -0.032 0.000 0.781 157 S HN 0.294 nan 8.310 nan 0.000 0.521 158 S N -0.660 115.000 115.700 -0.067 0.000 2.593 158 S HA 0.538 5.008 4.470 0.001 0.000 0.235 158 S C 1.633 176.223 174.600 -0.017 0.000 1.059 158 S CA 0.580 58.729 58.200 -0.085 0.000 0.953 158 S CB -0.104 62.958 63.200 -0.230 0.000 0.897 158 S HN 1.415 nan 8.310 nan 0.000 0.507 159 G N 1.325 110.135 108.800 0.017 0.000 2.176 159 G HA2 -0.248 3.712 3.960 0.001 0.000 0.253 159 G HA3 -0.248 3.712 3.960 0.001 0.000 0.253 159 G C -0.038 174.902 174.900 0.067 0.000 0.979 159 G CA 0.385 45.509 45.100 0.040 0.000 0.641 159 G HN 0.625 nan 8.290 nan 0.000 0.530 160 K N 1.465 121.918 120.400 0.088 0.000 2.090 160 K HA 0.554 4.874 4.320 0.001 0.000 0.249 160 K C -2.204 174.523 176.600 0.212 0.000 0.995 160 K CA -1.800 54.584 56.287 0.163 0.000 0.914 160 K CB 1.485 34.113 32.500 0.213 0.000 1.057 160 K HN 0.076 nan 8.250 nan 0.000 0.462 161 P HA 0.066 nan 4.420 nan 0.000 0.278 161 P C -0.597 176.826 177.300 0.206 0.000 1.238 161 P CA -0.415 62.776 63.100 0.150 0.000 0.794 161 P CB 0.945 32.685 31.700 0.066 0.000 0.955 162 G N 2.174 111.056 108.800 0.136 0.000 2.332 162 G HA2 0.526 4.486 3.960 0.001 0.000 0.310 162 G HA3 0.526 4.486 3.960 0.001 0.000 0.310 162 G C -0.824 174.090 174.900 0.022 0.000 1.123 162 G CA -0.398 44.772 45.100 0.117 0.000 0.873 162 G HN 0.307 nan 8.290 nan 0.000 0.460 163 I N 1.951 122.532 120.570 0.020 0.000 2.362 163 I HA 0.361 4.532 4.170 0.001 0.000 0.289 163 I C 0.421 176.601 176.117 0.106 0.000 0.994 163 I CA -0.771 60.547 61.300 0.028 0.000 1.158 163 I CB 1.504 39.530 38.000 0.043 0.000 1.315 163 I HN 0.664 nan 8.210 nan 0.000 0.451 164 C N 5.669 125.014 119.300 0.075 0.000 2.707 164 C HA 0.893 5.353 4.460 0.001 0.000 0.313 164 C C -0.403 174.623 174.990 0.059 0.000 1.209 164 C CA -1.057 58.027 59.018 0.109 0.000 1.635 164 C CB 0.761 28.548 27.740 0.078 0.000 2.206 164 C HN 0.671 nan 8.230 nan 0.000 0.485 165 I N 1.991 122.606 120.570 0.074 0.000 2.582 165 I HA 0.752 4.922 4.170 0.001 0.000 0.292 165 I C 0.217 176.399 176.117 0.109 0.000 1.066 165 I CA -0.389 60.946 61.300 0.057 0.000 1.053 165 I CB 1.987 39.989 38.000 0.003 0.000 1.241 165 I HN 1.097 nan 8.210 nan 0.000 0.421 166 A N 3.319 126.192 122.820 0.089 0.000 2.566 166 A HA 0.786 5.106 4.320 0.001 0.000 0.292 166 A C -0.466 177.167 177.584 0.081 0.000 1.112 166 A CA -0.515 51.580 52.037 0.097 0.000 0.707 166 A CB 1.977 20.994 19.000 0.029 0.000 1.302 166 A HN 0.590 nan 8.150 nan 0.000 0.409 167 T N -0.204 114.393 114.554 0.070 0.000 2.793 167 T HA 0.525 4.875 4.350 0.001 0.000 0.299 167 T C 1.100 175.792 174.700 -0.013 0.000 1.038 167 T CA 0.437 62.558 62.100 0.035 0.000 0.948 167 T CB 0.127 69.008 68.868 0.022 0.000 1.231 167 T HN 1.569 nan 8.240 nan 0.000 0.538 168 S N -0.511 115.164 115.700 -0.041 0.000 2.640 168 S HA 0.582 5.053 4.470 0.001 0.000 0.262 168 S C 1.399 175.936 174.600 -0.105 0.000 1.232 168 S CA -0.067 58.092 58.200 -0.068 0.000 0.988 168 S CB -0.214 62.940 63.200 -0.076 0.000 1.034 168 S HN 1.591 nan 8.310 nan 0.000 0.569 169 G N 1.633 110.365 108.800 -0.113 0.000 2.690 169 G HA2 -0.306 3.654 3.960 0.001 0.000 0.334 169 G HA3 -0.306 3.654 3.960 0.001 0.000 0.334 169 G C -0.961 173.871 174.900 -0.114 0.000 1.250 169 G CA 0.552 45.575 45.100 -0.129 0.000 0.994 169 G HN 0.750 nan 8.290 nan 0.000 0.549 170 P HA -0.043 nan 4.420 nan 0.000 0.220 170 P C 1.909 179.129 177.300 -0.132 0.000 1.148 170 P CA 2.558 65.584 63.100 -0.123 0.000 0.803 170 P CB -0.669 30.952 31.700 -0.131 0.000 0.782 171 G N 0.945 109.673 108.800 -0.119 0.000 2.453 171 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 171 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 171 G C 1.879 176.726 174.900 -0.089 0.000 1.201 171 G CA 1.262 46.298 45.100 -0.106 0.000 0.784 171 G HN 0.338 nan 8.290 nan 0.000 0.545 172 A N 0.828 123.606 122.820 -0.069 0.000 1.883 172 A HA -0.118 4.202 4.320 0.001 0.000 0.217 172 A C 2.670 180.214 177.584 -0.066 0.000 1.186 172 A CA 3.250 55.252 52.037 -0.058 0.000 0.624 172 A CB -1.397 17.573 19.000 -0.051 0.000 0.822 172 A HN 0.634 nan 8.150 nan 0.000 0.444 173 T N -1.896 112.614 114.554 -0.072 0.000 2.833 173 T HA -0.172 4.179 4.350 0.001 0.000 0.269 173 T C 1.395 176.054 174.700 -0.069 0.000 1.054 173 T CA 1.649 63.709 62.100 -0.067 0.000 1.135 173 T CB -0.897 67.933 68.868 -0.064 0.000 0.869 173 T HN 0.629 nan 8.240 nan 0.000 0.466 174 N N 0.668 119.319 118.700 -0.082 0.000 2.573 174 N HA 0.146 4.886 4.740 0.001 0.000 0.187 174 N C 1.339 176.793 175.510 -0.094 0.000 1.107 174 N CA 0.288 53.298 53.050 -0.066 0.000 0.918 174 N CB -0.233 38.191 38.487 -0.106 0.000 0.966 174 N HN 0.437 nan 8.380 nan 0.000 0.448 175 L N -0.511 120.653 121.223 -0.099 0.000 2.416 175 L HA 0.051 4.391 4.340 0.001 0.000 0.216 175 L C 1.977 178.779 176.870 -0.112 0.000 1.098 175 L CA 0.033 54.803 54.840 -0.117 0.000 0.840 175 L CB -0.093 41.919 42.059 -0.079 0.000 0.981 175 L HN -0.021 nan 8.230 nan 0.000 0.462 176 V N 0.058 119.921 119.914 -0.085 0.000 2.252 176 V HA -0.398 3.722 4.120 0.001 0.000 0.255 176 V C 2.607 178.667 176.094 -0.057 0.000 1.071 176 V CA 2.454 64.716 62.300 -0.064 0.000 1.050 176 V CB -0.632 31.159 31.823 -0.053 0.000 0.654 176 V HN 0.438 nan 8.190 nan 0.000 0.448 177 S N 0.006 115.659 115.700 -0.079 0.000 2.399 177 S HA -0.108 4.362 4.470 0.001 0.000 0.231 177 S C 2.000 176.615 174.600 0.025 0.000 1.022 177 S CA 1.224 59.407 58.200 -0.028 0.000 0.983 177 S CB -0.570 62.613 63.200 -0.028 0.000 0.803 177 S HN 0.741 nan 8.310 nan 0.000 0.480 178 G N 1.600 110.342 108.800 -0.096 0.000 2.408 178 G HA2 -0.089 3.872 3.960 0.001 0.000 0.217 178 G HA3 -0.089 3.872 3.960 0.001 0.000 0.217 178 G C 1.312 176.252 174.900 0.065 0.000 1.150 178 G CA 0.466 45.577 45.100 0.019 0.000 0.776 178 G HN 0.433 nan 8.290 nan 0.000 0.542 179 L N 0.663 121.887 121.223 0.002 0.000 2.027 179 L HA -0.011 4.330 4.340 0.001 0.000 0.206 179 L C 3.405 180.281 176.870 0.010 0.000 1.074 179 L CA 1.042 55.883 54.840 0.001 0.000 0.745 179 L CB -0.540 41.506 42.059 -0.021 0.000 0.898 179 L HN 0.275 nan 8.230 nan 0.000 0.433 180 A N 0.015 122.840 122.820 0.009 0.000 1.940 180 A HA -0.296 4.025 4.320 0.001 0.000 0.219 180 A C 1.955 179.544 177.584 0.010 0.000 1.176 180 A CA 2.247 54.287 52.037 0.004 0.000 0.631 180 A CB -0.669 18.331 19.000 0.000 0.000 0.814 180 A HN 0.448 nan 8.150 nan 0.000 0.446 181 D N -0.338 120.087 120.400 0.043 0.000 2.097 181 D HA -0.021 4.619 4.640 0.001 0.000 0.195 181 D C 2.060 178.359 176.300 -0.002 0.000 0.989 181 D CA 1.688 55.702 54.000 0.023 0.000 0.827 181 D CB -0.237 40.638 40.800 0.125 0.000 0.966 181 D HN 0.327 nan 8.370 nan 0.000 0.456 182 A N -0.214 122.629 122.820 0.038 0.000 2.019 182 A HA -0.068 4.253 4.320 0.001 0.000 0.219 182 A C 2.084 179.668 177.584 -0.000 0.000 1.164 182 A CA 1.101 53.152 52.037 0.023 0.000 0.644 182 A CB -0.649 18.375 19.000 0.040 0.000 0.805 182 A HN 0.385 nan 8.150 nan 0.000 0.449 183 L N -0.530 120.691 121.223 -0.002 0.000 2.095 183 L HA 0.049 4.390 4.340 0.001 0.000 0.204 183 L C 2.145 179.007 176.870 -0.013 0.000 1.080 183 L CA 1.480 56.316 54.840 -0.007 0.000 0.759 183 L CB -0.446 41.609 42.059 -0.006 0.000 0.914 183 L HN 0.361 nan 8.230 nan 0.000 0.439 184 L N -0.668 120.542 121.223 -0.022 0.000 2.141 184 L HA -0.127 4.214 4.340 0.001 0.000 0.209 184 L C 1.237 178.085 176.870 -0.037 0.000 1.094 184 L CA 0.917 55.739 54.840 -0.030 0.000 0.763 184 L CB -0.453 41.581 42.059 -0.041 0.000 0.908 184 L HN 0.267 nan 8.230 nan 0.000 0.437 185 D N -0.921 119.449 120.400 -0.049 0.000 2.349 185 D HA 0.050 4.691 4.640 0.001 0.000 0.214 185 D C 0.531 176.813 176.300 -0.030 0.000 1.063 185 D CA 0.151 54.117 54.000 -0.057 0.000 0.847 185 D CB 0.432 41.168 40.800 -0.106 0.000 0.933 185 D HN -0.033 nan 8.370 nan 0.000 0.513 186 S N -0.371 115.318 115.700 -0.017 0.000 3.711 186 S HA -0.141 4.330 4.470 0.001 0.000 0.374 186 S C 0.086 174.684 174.600 -0.003 0.000 0.969 186 S CA -0.024 58.171 58.200 -0.007 0.000 1.198 186 S CB -1.397 61.802 63.200 -0.003 0.000 0.903 186 S HN 0.109 nan 8.310 nan 0.000 0.493 187 V N 3.267 123.181 119.914 -0.001 0.000 2.383 187 V HA 0.364 4.484 4.120 0.001 0.000 0.275 187 V C -1.548 174.553 176.094 0.012 0.000 1.036 187 V CA -1.895 60.413 62.300 0.013 0.000 0.889 187 V CB 1.267 33.106 31.823 0.027 0.000 0.985 187 V HN 0.217 nan 8.190 nan 0.000 0.459 188 P HA 0.198 nan 4.420 nan 0.000 0.265 188 P C -0.845 176.450 177.300 -0.008 0.000 1.222 188 P CA 0.233 63.331 63.100 -0.003 0.000 0.767 188 P CB 1.102 32.811 31.700 0.016 0.000 0.801 189 L N 4.237 125.429 121.223 -0.051 0.000 2.513 189 L HA 0.470 4.810 4.340 0.001 0.000 0.261 189 L C -1.406 175.378 176.870 -0.143 0.000 0.945 189 L CA -0.904 53.896 54.840 -0.066 0.000 0.848 189 L CB 2.449 44.499 42.059 -0.016 0.000 1.334 189 L HN 0.002 nan 8.230 nan 0.000 0.407 190 V N 3.845 123.635 119.914 -0.207 0.000 2.407 190 V HA 0.743 4.863 4.120 0.001 0.000 0.291 190 V C 0.013 176.033 176.094 -0.123 0.000 1.018 190 V CA -0.351 61.794 62.300 -0.258 0.000 0.842 190 V CB 1.459 32.918 31.823 -0.607 0.000 0.996 190 V HN 0.804 nan 8.190 nan 0.000 0.426 191 A N 6.661 129.440 122.820 -0.069 0.000 2.304 191 A HA 0.894 5.214 4.320 0.001 0.000 0.323 191 A C -0.664 176.913 177.584 -0.011 0.000 1.195 191 A CA -0.456 51.564 52.037 -0.029 0.000 0.826 191 A CB 0.588 19.572 19.000 -0.025 0.000 1.184 191 A HN 0.780 nan 8.150 nan 0.000 0.496 192 I N 2.625 123.197 120.570 0.004 0.000 2.406 192 I HA 0.417 4.587 4.170 0.001 0.000 0.290 192 I C 0.093 176.219 176.117 0.015 0.000 0.999 192 I CA -0.297 61.011 61.300 0.013 0.000 1.124 192 I CB 2.315 40.328 38.000 0.021 0.000 1.289 192 I HN 0.731 nan 8.210 nan 0.000 0.441 193 T N 1.765 116.326 114.554 0.011 0.000 2.841 193 T HA 0.659 5.009 4.350 0.001 0.000 0.283 193 T C 0.109 174.816 174.700 0.011 0.000 1.000 193 T CA -0.825 61.281 62.100 0.010 0.000 0.977 193 T CB 1.780 70.645 68.868 -0.006 0.000 0.979 193 T HN 0.650 nan 8.240 nan 0.000 0.446 194 G N 1.506 110.317 108.800 0.018 0.000 2.539 194 G HA2 0.526 4.486 3.960 0.001 0.000 0.258 194 G HA3 0.526 4.486 3.960 0.001 0.000 0.258 194 G C -0.682 174.217 174.900 -0.002 0.000 1.202 194 G CA -0.303 44.806 45.100 0.016 0.000 0.851 194 G HN 0.682 nan 8.290 nan 0.000 0.556 195 Q N -1.192 118.607 119.800 -0.002 0.000 2.544 195 Q HA 0.463 4.804 4.340 0.001 0.000 0.291 195 Q C 0.189 176.187 176.000 -0.005 0.000 1.068 195 Q CA -0.707 55.090 55.803 -0.011 0.000 0.785 195 Q CB 2.090 30.823 28.738 -0.008 0.000 1.481 195 Q HN 0.638 nan 8.270 nan 0.000 0.430 196 V N -0.884 119.025 119.914 -0.007 0.000 3.185 196 V HA 0.447 4.568 4.120 0.001 0.000 0.305 196 V C -2.281 173.820 176.094 0.012 0.000 1.090 196 V CA -1.550 60.756 62.300 0.009 0.000 1.107 196 V CB -0.247 31.584 31.823 0.012 0.000 1.061 196 V HN 0.602 nan 8.190 nan 0.000 0.480 197 P HA 0.163 nan 4.420 nan 0.000 0.265 197 P C 0.593 177.898 177.300 0.008 0.000 1.187 197 P CA 0.165 63.273 63.100 0.013 0.000 0.766 197 P CB 0.314 32.024 31.700 0.017 0.000 0.820 198 R N 2.818 123.320 120.500 0.004 0.000 2.113 198 R HA -0.256 4.085 4.340 0.001 0.000 0.244 198 R C 2.183 178.484 176.300 0.003 0.000 1.142 198 R CA 2.136 58.237 56.100 0.001 0.000 0.953 198 R CB -0.538 29.761 30.300 -0.002 0.000 0.860 198 R HN 0.581 nan 8.270 nan 0.000 0.438 199 R N 0.071 120.573 120.500 0.004 0.000 2.237 199 R HA -0.020 4.321 4.340 0.001 0.000 0.219 199 R C 1.544 177.848 176.300 0.008 0.000 1.080 199 R CA 1.134 57.237 56.100 0.004 0.000 0.995 199 R CB -0.055 30.247 30.300 0.004 0.000 0.875 199 R HN 0.143 nan 8.270 nan 0.000 0.462 200 M N 0.962 120.568 119.600 0.011 0.000 2.510 200 M HA 0.217 4.697 4.480 0.001 0.000 0.256 200 M C 0.664 176.971 176.300 0.012 0.000 1.132 200 M CA -0.042 55.268 55.300 0.016 0.000 1.105 200 M CB -0.077 32.539 32.600 0.027 0.000 1.375 200 M HN 0.071 nan 8.290 nan 0.000 0.477 201 I N 0.921 121.494 120.570 0.006 0.000 2.775 201 I HA 0.013 4.184 4.170 0.001 0.000 0.290 201 I C 1.535 177.652 176.117 0.001 0.000 1.203 201 I CA 0.818 62.118 61.300 0.001 0.000 1.433 201 I CB 0.054 38.053 38.000 -0.002 0.000 1.354 201 I HN 0.625 nan 8.210 nan 0.000 0.579 202 G N 3.803 112.602 108.800 -0.002 0.000 2.184 202 G HA2 -0.332 3.629 3.960 0.001 0.000 0.264 202 G HA3 -0.332 3.629 3.960 0.001 0.000 0.264 202 G C 0.786 175.687 174.900 0.002 0.000 0.975 202 G CA 0.700 45.798 45.100 -0.002 0.000 0.642 202 G HN 0.800 nan 8.290 nan 0.000 0.536 203 T N -1.897 112.660 114.554 0.006 0.000 3.163 203 T HA 0.384 4.734 4.350 0.001 0.000 0.252 203 T C 0.705 175.414 174.700 0.015 0.000 1.056 203 T CA 0.861 62.967 62.100 0.010 0.000 0.947 203 T CB 0.031 68.907 68.868 0.014 0.000 1.016 203 T HN 0.522 nan 8.240 nan 0.000 0.554 204 D N 0.848 121.256 120.400 0.012 0.000 2.746 204 D HA -0.123 4.518 4.640 0.001 0.000 0.236 204 D C 0.428 176.749 176.300 0.034 0.000 1.129 204 D CA 0.832 54.841 54.000 0.016 0.000 0.691 204 D CB -1.580 39.229 40.800 0.015 0.000 1.077 204 D HN 0.822 nan 8.370 nan 0.000 0.432 205 A N -0.047 122.795 122.820 0.037 0.000 2.346 205 A HA 0.398 4.718 4.320 0.001 0.000 0.252 205 A C 0.360 178.008 177.584 0.107 0.000 1.089 205 A CA -0.375 51.706 52.037 0.073 0.000 0.797 205 A CB 0.240 19.277 19.000 0.061 0.000 1.047 205 A HN 0.198 nan 8.150 nan 0.000 0.494 206 F N 1.110 121.056 119.950 -0.007 0.000 2.590 206 F HA 0.121 4.649 4.527 0.001 0.000 0.389 206 F C 1.149 176.944 175.800 -0.008 0.000 1.049 206 F CA 1.065 59.061 58.000 -0.008 0.000 1.199 206 F CB -0.489 38.507 39.000 -0.007 0.000 1.058 206 F HN 0.762 nan 8.300 nan 0.000 0.556 207 Q N 2.397 121.868 119.800 -0.548 0.000 2.468 207 Q HA -0.287 4.053 4.340 0.001 0.000 0.289 207 Q C -0.373 175.479 176.000 -0.248 0.000 1.299 207 Q CA 1.237 56.726 55.803 -0.522 0.000 0.838 207 Q CB -1.559 26.684 28.738 -0.825 0.000 1.195 207 Q HN 0.879 nan 8.270 nan 0.000 0.456 208 E N 0.037 120.155 120.200 -0.137 0.000 2.183 208 E HA 0.668 5.018 4.350 0.001 0.000 0.271 208 E C -0.321 176.239 176.600 -0.066 0.000 0.919 208 E CA -0.264 56.087 56.400 -0.081 0.000 0.781 208 E CB 1.822 31.498 29.700 -0.039 0.000 1.140 208 E HN 0.179 nan 8.360 nan 0.000 0.402 209 T N 0.143 114.661 114.554 -0.059 0.000 2.933 209 T HA 0.439 4.790 4.350 0.001 0.000 0.305 209 T C -2.578 172.098 174.700 -0.040 0.000 1.092 209 T CA -2.094 59.977 62.100 -0.049 0.000 1.008 209 T CB 1.662 70.496 68.868 -0.056 0.000 1.102 209 T HN 0.404 nan 8.240 nan 0.000 0.469 210 P HA 0.225 nan 4.420 nan 0.000 0.235 210 P C 0.805 178.084 177.300 -0.034 0.000 1.765 210 P CA -0.428 62.654 63.100 -0.030 0.000 1.034 210 P CB -0.154 31.531 31.700 -0.026 0.000 1.984 211 I N 2.611 123.159 120.570 -0.036 0.000 2.335 211 I HA -0.235 3.936 4.170 0.001 0.000 0.251 211 I C 2.064 178.156 176.117 -0.042 0.000 1.129 211 I CA 1.410 62.687 61.300 -0.039 0.000 1.402 211 I CB -0.258 37.718 38.000 -0.039 0.000 1.069 211 I HN -0.046 nan 8.210 nan 0.000 0.424 212 V N 0.265 120.154 119.914 -0.042 0.000 2.427 212 V HA -0.211 3.909 4.120 0.001 0.000 0.248 212 V C 2.555 178.616 176.094 -0.054 0.000 1.051 212 V CA 1.758 64.025 62.300 -0.055 0.000 1.048 212 V CB -0.674 31.116 31.823 -0.056 0.000 0.666 212 V HN 0.409 nan 8.190 nan 0.000 0.456 213 E N -0.036 120.139 120.200 -0.042 0.000 2.072 213 E HA -0.127 4.224 4.350 0.001 0.000 0.190 213 E C 2.284 178.864 176.600 -0.035 0.000 0.982 213 E CA 1.070 57.449 56.400 -0.036 0.000 0.803 213 E CB -0.127 29.555 29.700 -0.029 0.000 0.755 213 E HN 0.445 nan 8.360 nan 0.000 0.453 214 V N 1.129 121.022 119.914 -0.035 0.000 2.343 214 V HA -0.212 3.909 4.120 0.001 0.000 0.247 214 V C 2.447 178.520 176.094 -0.035 0.000 1.051 214 V CA 2.224 64.504 62.300 -0.034 0.000 1.036 214 V CB -0.713 31.089 31.823 -0.036 0.000 0.654 214 V HN 0.409 nan 8.190 nan 0.000 0.451 215 T N -2.408 112.122 114.554 -0.040 0.000 3.107 215 T HA 0.006 4.356 4.350 0.001 0.000 0.249 215 T C 1.707 176.381 174.700 -0.043 0.000 1.096 215 T CA 0.359 62.435 62.100 -0.041 0.000 1.012 215 T CB -0.145 68.696 68.868 -0.045 0.000 0.977 215 T HN 0.328 nan 8.240 nan 0.000 0.527 216 R N 2.346 122.819 120.500 -0.046 0.000 2.103 216 R HA -0.122 4.219 4.340 0.001 0.000 0.242 216 R C 2.415 178.698 176.300 -0.027 0.000 1.142 216 R CA 2.095 58.168 56.100 -0.044 0.000 0.960 216 R CB -0.491 29.785 30.300 -0.041 0.000 0.858 216 R HN 0.563 nan 8.270 nan 0.000 0.439 217 S N -0.314 115.373 115.700 -0.023 0.000 2.558 217 S HA 0.012 4.482 4.470 0.001 0.000 0.217 217 S C 1.439 176.030 174.600 -0.015 0.000 0.975 217 S CA 0.378 58.568 58.200 -0.016 0.000 0.912 217 S CB -0.180 63.011 63.200 -0.015 0.000 0.776 217 S HN 0.562 nan 8.310 nan 0.000 0.526 218 I N 0.085 120.643 120.570 -0.019 0.000 3.936 218 I HA 0.393 4.563 4.170 0.001 0.000 0.330 218 I C -0.109 175.998 176.117 -0.017 0.000 1.509 218 I CA -0.576 60.714 61.300 -0.017 0.000 1.126 218 I CB 0.277 38.266 38.000 -0.019 0.000 1.115 218 I HN 0.183 nan 8.210 nan 0.000 0.424 219 T N -3.069 111.474 114.554 -0.018 0.000 2.896 219 T HA 0.343 4.694 4.350 0.001 0.000 0.297 219 T C 0.426 175.125 174.700 -0.002 0.000 1.108 219 T CA -0.764 61.326 62.100 -0.017 0.000 1.004 219 T CB 2.824 71.673 68.868 -0.033 0.000 1.159 219 T HN 0.155 nan 8.240 nan 0.000 0.499 220 K N -0.097 120.306 120.400 0.005 0.000 2.211 220 K HA -0.039 4.281 4.320 0.001 0.000 0.203 220 K C 0.193 176.834 176.600 0.068 0.000 1.050 220 K CA 1.187 57.485 56.287 0.019 0.000 0.945 220 K CB 0.004 32.505 32.500 0.002 0.000 0.732 220 K HN 0.773 nan 8.250 nan 0.000 0.451 221 H N -1.352 117.658 119.070 -0.101 0.000 2.984 221 H HA 0.227 4.783 4.556 0.001 0.000 0.298 221 H C -1.958 173.265 175.328 -0.175 0.000 1.378 221 H CA -1.042 54.904 56.048 -0.169 0.000 1.241 221 H CB 0.771 30.402 29.762 -0.218 0.000 1.894 221 H HN 0.268 nan 8.280 nan 0.000 0.511 222 N N 0.696 118.910 118.700 -0.810 0.000 2.732 222 N HA 0.476 5.216 4.740 0.001 0.000 0.259 222 N C -1.942 173.099 175.510 -0.781 0.000 1.402 222 N CA -0.690 52.042 53.050 -0.529 0.000 0.829 222 N CB 1.553 39.899 38.487 -0.234 0.000 1.495 222 N HN 0.403 nan 8.380 nan 0.000 0.511 223 Y N -1.174 118.980 120.300 -0.243 0.000 2.588 223 Y HA 0.643 5.194 4.550 0.001 0.000 0.343 223 Y C -1.187 174.655 175.900 -0.097 0.000 1.065 223 Y CA -1.104 56.896 58.100 -0.167 0.000 1.038 223 Y CB 1.940 40.334 38.460 -0.109 0.000 1.297 223 Y HN 0.597 nan 8.280 nan 0.000 0.467 224 L N 2.332 123.622 121.223 0.112 0.000 2.377 224 L HA 0.662 5.002 4.340 0.001 0.000 0.270 224 L C -1.437 175.465 176.870 0.054 0.000 0.991 224 L CA -0.699 54.172 54.840 0.051 0.000 0.851 224 L CB 1.060 43.129 42.059 0.017 0.000 1.218 224 L HN 0.436 nan 8.230 nan 0.000 0.420 225 V N 6.796 126.728 119.914 0.031 0.000 2.521 225 V HA 0.125 4.246 4.120 0.001 0.000 0.286 225 V C 1.111 177.205 176.094 -0.000 0.000 1.034 225 V CA 0.110 62.413 62.300 0.005 0.000 1.045 225 V CB 1.012 32.823 31.823 -0.021 0.000 0.974 225 V HN 0.813 nan 8.190 nan 0.000 0.480 226 M N 2.779 122.378 119.600 -0.002 0.000 2.313 226 M HA 0.360 4.840 4.480 0.001 0.000 0.273 226 M C -0.082 176.208 176.300 -0.016 0.000 1.049 226 M CA 0.226 55.523 55.300 -0.005 0.000 1.004 226 M CB -0.111 32.490 32.600 0.002 0.000 1.461 226 M HN 0.790 nan 8.290 nan 0.000 0.514 227 D N -0.678 119.706 120.400 -0.027 0.000 2.937 227 D HA 0.095 4.736 4.640 0.001 0.000 0.215 227 D C 0.400 176.666 176.300 -0.057 0.000 1.274 227 D CA -0.169 53.808 54.000 -0.039 0.000 0.869 227 D CB 1.951 42.728 40.800 -0.039 0.000 1.675 227 D HN -0.183 nan 8.370 nan 0.000 0.538 228 V N 4.013 123.890 119.914 -0.062 0.000 2.546 228 V HA -0.179 3.942 4.120 0.001 0.000 0.254 228 V C 1.627 177.653 176.094 -0.114 0.000 1.076 228 V CA 2.017 64.268 62.300 -0.082 0.000 1.087 228 V CB -0.199 31.575 31.823 -0.080 0.000 0.674 228 V HN 0.565 nan 8.190 nan 0.000 0.470 229 E N -0.198 119.938 120.200 -0.107 0.000 2.204 229 E HA -0.189 4.162 4.350 0.001 0.000 0.195 229 E C 1.685 178.200 176.600 -0.141 0.000 0.990 229 E CA 1.425 57.747 56.400 -0.130 0.000 0.821 229 E CB -0.315 29.325 29.700 -0.101 0.000 0.750 229 E HN 0.718 nan 8.360 nan 0.000 0.477 230 D N 0.234 120.566 120.400 -0.112 0.000 2.349 230 D HA 0.053 4.693 4.640 0.001 0.000 0.215 230 D C 1.939 178.161 176.300 -0.130 0.000 1.016 230 D CA -0.009 53.925 54.000 -0.110 0.000 0.870 230 D CB 0.058 40.811 40.800 -0.078 0.000 0.917 230 D HN 0.220 nan 8.370 nan 0.000 0.524 231 I N 1.591 122.080 120.570 -0.135 0.000 2.118 231 I HA -0.235 3.935 4.170 0.001 0.000 0.241 231 I C -0.548 175.502 176.117 -0.111 0.000 1.070 231 I CA 1.416 62.646 61.300 -0.117 0.000 1.327 231 I CB -1.491 36.447 38.000 -0.104 0.000 1.034 231 I HN -0.002 nan 8.210 nan 0.000 0.405 232 P HA -0.186 nan 4.420 nan 0.000 0.214 232 P C 1.665 178.935 177.300 -0.050 0.000 1.163 232 P CA 1.508 64.535 63.100 -0.122 0.000 0.883 232 P CB -0.152 31.308 31.700 -0.401 0.000 0.788 233 R N -0.247 120.194 120.500 -0.098 0.000 2.073 233 R HA -0.106 4.234 4.340 0.001 0.000 0.234 233 R C 2.271 178.508 176.300 -0.106 0.000 1.134 233 R CA 1.527 57.580 56.100 -0.077 0.000 0.952 233 R CB -0.867 29.385 30.300 -0.081 0.000 0.850 233 R HN 0.146 nan 8.270 nan 0.000 0.433 234 I N 0.824 121.283 120.570 -0.186 0.000 2.179 234 I HA -0.306 3.865 4.170 0.001 0.000 0.242 234 I C 2.233 178.195 176.117 -0.259 0.000 1.088 234 I CA 0.910 61.974 61.300 -0.393 0.000 1.357 234 I CB -0.265 37.449 38.000 -0.476 0.000 1.051 234 I HN 0.212 nan 8.210 nan 0.000 0.409 235 I N 0.828 121.348 120.570 -0.083 0.000 2.208 235 I HA -0.306 3.864 4.170 0.001 0.000 0.245 235 I C 2.569 178.799 176.117 0.187 0.000 1.097 235 I CA 1.697 63.050 61.300 0.088 0.000 1.363 235 I CB -1.240 36.821 38.000 0.102 0.000 1.051 235 I HN 0.408 nan 8.210 nan 0.000 0.413 236 E N 1.088 121.340 120.200 0.087 0.000 2.077 236 E HA -0.246 4.104 4.350 0.001 0.000 0.193 236 E C 2.065 178.778 176.600 0.188 0.000 0.989 236 E CA 1.424 57.889 56.400 0.109 0.000 0.800 236 E CB -0.001 29.728 29.700 0.047 0.000 0.746 236 E HN 0.473 nan 8.360 nan 0.000 0.452 237 E N -0.089 120.178 120.200 0.113 0.000 2.077 237 E HA -0.202 4.148 4.350 0.001 0.000 0.193 237 E C 2.003 178.767 176.600 0.274 0.000 0.989 237 E CA 0.926 57.434 56.400 0.180 0.000 0.800 237 E CB -0.132 29.638 29.700 0.118 0.000 0.746 237 E HN 0.402 nan 8.360 nan 0.000 0.452 238 A N 0.565 123.505 122.820 0.201 0.000 1.877 238 A HA -0.186 4.134 4.320 0.001 0.000 0.216 238 A C 1.899 179.567 177.584 0.141 0.000 1.186 238 A CA 1.259 53.421 52.037 0.208 0.000 0.620 238 A CB -0.822 18.244 19.000 0.110 0.000 0.822 238 A HN 0.206 nan 8.150 nan 0.000 0.443 239 F N -1.457 118.553 119.950 0.099 0.000 2.134 239 F HA -0.093 4.435 4.527 0.001 0.000 0.299 239 F C 2.018 177.882 175.800 0.106 0.000 1.097 239 F CA 1.545 59.599 58.000 0.090 0.000 1.264 239 F CB -0.640 38.409 39.000 0.082 0.000 1.001 239 F HN 0.356 nan 8.300 nan 0.000 0.479 240 F N 0.485 120.560 119.950 0.208 0.000 2.102 240 F HA -0.196 4.331 4.527 0.001 0.000 0.298 240 F C 2.007 177.845 175.800 0.063 0.000 1.105 240 F CA 1.612 59.690 58.000 0.130 0.000 1.239 240 F CB -0.617 38.445 39.000 0.104 0.000 0.991 240 F HN -0.142 nan 8.300 nan 0.000 0.474 241 L N -0.200 121.011 121.223 -0.020 0.000 2.056 241 L HA -0.161 4.180 4.340 0.001 0.000 0.207 241 L C 2.770 179.533 176.870 -0.177 0.000 1.078 241 L CA 1.114 55.807 54.840 -0.244 0.000 0.749 241 L CB -1.110 40.863 42.059 -0.144 0.000 0.901 241 L HN 0.250 nan 8.230 nan 0.000 0.433 242 A N -0.151 122.613 122.820 -0.093 0.000 1.969 242 A HA -0.190 4.131 4.320 0.001 0.000 0.218 242 A C 2.368 179.906 177.584 -0.077 0.000 1.169 242 A CA 2.192 54.175 52.037 -0.090 0.000 0.635 242 A CB -0.706 18.210 19.000 -0.141 0.000 0.810 242 A HN 0.522 nan 8.150 nan 0.000 0.445 243 T N -2.618 111.887 114.554 -0.082 0.000 3.040 243 T HA 0.153 4.504 4.350 0.001 0.000 0.252 243 T C 1.189 175.825 174.700 -0.106 0.000 1.064 243 T CA 0.712 62.779 62.100 -0.055 0.000 1.110 243 T CB -0.611 68.268 68.868 0.018 0.000 0.921 243 T HN 0.560 nan 8.240 nan 0.000 0.480 244 S N 0.394 115.948 115.700 -0.242 0.000 2.655 244 S HA 0.614 5.085 4.470 0.001 0.000 0.265 244 S C 1.443 176.000 174.600 -0.072 0.000 1.240 244 S CA -0.124 57.928 58.200 -0.247 0.000 0.986 244 S CB 0.300 63.123 63.200 -0.629 0.000 0.985 244 S HN 1.134 nan 8.310 nan 0.000 0.562 245 G N 1.437 110.211 108.800 -0.043 0.000 2.672 245 G HA2 -0.362 3.599 3.960 0.001 0.000 0.324 245 G HA3 -0.362 3.599 3.960 0.001 0.000 0.324 245 G C 0.014 174.909 174.900 -0.009 0.000 1.286 245 G CA 0.701 45.791 45.100 -0.017 0.000 1.004 245 G HN 1.084 nan 8.290 nan 0.000 0.548 246 R N 1.979 122.488 120.500 0.015 0.000 2.220 246 R HA 0.461 4.802 4.340 0.001 0.000 0.340 246 R C -2.297 174.008 176.300 0.008 0.000 1.076 246 R CA -1.500 54.605 56.100 0.007 0.000 0.920 246 R CB 0.671 30.979 30.300 0.012 0.000 1.062 246 R HN 0.253 nan 8.270 nan 0.000 0.469 247 P HA 0.107 nan 4.420 nan 0.000 0.267 247 P C -0.547 176.747 177.300 -0.009 0.000 1.201 247 P CA 0.100 63.193 63.100 -0.012 0.000 0.775 247 P CB 1.002 32.699 31.700 -0.006 0.000 0.854 248 G N 1.406 110.195 108.800 -0.018 0.000 2.506 248 G HA2 0.490 4.451 3.960 0.001 0.000 0.292 248 G HA3 0.490 4.451 3.960 0.001 0.000 0.292 248 G C -3.337 171.548 174.900 -0.025 0.000 1.425 248 G CA -0.951 44.141 45.100 -0.015 0.000 0.788 248 G HN 0.268 nan 8.290 nan 0.000 0.490 249 P HA 0.537 nan 4.420 nan 0.000 0.284 249 P C -0.822 176.462 177.300 -0.027 0.000 1.253 249 P CA -0.416 62.667 63.100 -0.029 0.000 0.800 249 P CB 2.121 33.811 31.700 -0.017 0.000 0.961 250 V N 4.507 124.398 119.914 -0.038 0.000 2.577 250 V HA 0.349 4.469 4.120 0.001 0.000 0.303 250 V C 0.115 176.202 176.094 -0.010 0.000 1.042 250 V CA -0.774 61.523 62.300 -0.006 0.000 0.872 250 V CB 1.932 33.779 31.823 0.040 0.000 0.998 250 V HN 0.495 nan 8.190 nan 0.000 0.423 251 L N 5.650 126.870 121.223 -0.006 0.000 2.307 251 L HA 0.796 5.136 4.340 0.001 0.000 0.284 251 L C -1.034 175.868 176.870 0.053 0.000 1.023 251 L CA -0.394 54.447 54.840 0.000 0.000 0.810 251 L CB 1.730 43.774 42.059 -0.025 0.000 1.231 251 L HN 0.475 nan 8.230 nan 0.000 0.423 252 V N 3.860 123.805 119.914 0.051 0.000 2.378 252 V HA 0.289 4.410 4.120 0.001 0.000 0.288 252 V C -0.777 175.337 176.094 0.033 0.000 1.016 252 V CA -0.549 61.792 62.300 0.069 0.000 0.840 252 V CB 1.493 33.337 31.823 0.036 0.000 0.994 252 V HN 0.682 nan 8.190 nan 0.000 0.431 253 D N 3.884 124.305 120.400 0.034 0.000 2.313 253 D HA 0.441 5.081 4.640 0.001 0.000 0.239 253 D C -0.569 175.738 176.300 0.011 0.000 1.142 253 D CA 0.054 54.062 54.000 0.014 0.000 0.847 253 D CB 1.613 42.416 40.800 0.005 0.000 1.082 253 D HN 0.288 nan 8.370 nan 0.000 0.480 254 V N 6.245 126.163 119.914 0.006 0.000 2.304 254 V HA 0.348 4.469 4.120 0.001 0.000 0.278 254 V C -2.112 173.983 176.094 0.002 0.000 1.018 254 V CA -1.840 60.461 62.300 0.002 0.000 0.814 254 V CB 1.253 33.077 31.823 0.002 0.000 1.021 254 V HN 0.514 nan 8.190 nan 0.000 0.440 255 P HA 0.059 nan 4.420 nan 0.000 0.266 255 P C 0.863 178.165 177.300 0.003 0.000 1.195 255 P CA 0.051 63.151 63.100 0.001 0.000 0.768 255 P CB 0.849 32.548 31.700 -0.001 0.000 0.838 256 K N 3.234 123.639 120.400 0.009 0.000 2.103 256 K HA -0.210 4.110 4.320 0.001 0.000 0.207 256 K C 1.290 177.895 176.600 0.009 0.000 1.048 256 K CA 1.894 58.189 56.287 0.014 0.000 0.930 256 K CB -0.268 32.246 32.500 0.023 0.000 0.716 256 K HN 0.543 nan 8.250 nan 0.000 0.444 257 D N 0.530 120.933 120.400 0.005 0.000 2.219 257 D HA -0.192 4.448 4.640 0.001 0.000 0.205 257 D C 1.871 178.167 176.300 -0.008 0.000 0.970 257 D CA 0.977 54.977 54.000 0.000 0.000 0.851 257 D CB -0.319 40.481 40.800 0.000 0.000 0.943 257 D HN 0.369 nan 8.370 nan 0.000 0.488 258 I N 0.220 120.784 120.570 -0.011 0.000 2.617 258 I HA -0.172 3.998 4.170 0.001 0.000 0.256 258 I C 2.468 178.571 176.117 -0.023 0.000 1.167 258 I CA 0.564 61.852 61.300 -0.021 0.000 1.469 258 I CB -0.129 37.857 38.000 -0.023 0.000 1.098 258 I HN -0.085 nan 8.210 nan 0.000 0.436 259 Q N 0.306 120.099 119.800 -0.012 0.000 2.167 259 Q HA -0.203 4.137 4.340 0.001 0.000 0.202 259 Q C 1.932 177.925 176.000 -0.012 0.000 0.970 259 Q CA 1.181 56.978 55.803 -0.009 0.000 0.855 259 Q CB 0.037 28.779 28.738 0.006 0.000 0.911 259 Q HN 0.591 nan 8.270 nan 0.000 0.438 260 Q N -0.006 119.789 119.800 -0.009 0.000 2.398 260 Q HA 0.018 4.359 4.340 0.001 0.000 0.204 260 Q C 0.297 176.286 176.000 -0.018 0.000 0.932 260 Q CA -0.048 55.750 55.803 -0.008 0.000 0.916 260 Q CB 0.316 29.054 28.738 0.000 0.000 1.024 260 Q HN 0.299 nan 8.270 nan 0.000 0.504 261 Q N 1.280 121.064 119.800 -0.026 0.000 2.300 261 Q HA 0.125 4.465 4.340 0.001 0.000 0.280 261 Q C -0.936 175.035 176.000 -0.048 0.000 1.033 261 Q CA 0.003 55.786 55.803 -0.033 0.000 0.903 261 Q CB 0.527 29.243 28.738 -0.037 0.000 1.195 261 Q HN 0.226 nan 8.270 nan 0.000 0.386 262 L N 2.965 124.161 121.223 -0.045 0.000 2.326 262 L HA 0.683 5.024 4.340 0.001 0.000 0.278 262 L C -0.181 176.648 176.870 -0.068 0.000 1.092 262 L CA -0.306 54.500 54.840 -0.057 0.000 0.810 262 L CB 1.250 43.286 42.059 -0.038 0.000 1.153 262 L HN 0.781 nan 8.230 nan 0.000 0.439 263 A N 3.784 126.549 122.820 -0.092 0.000 2.586 263 A HA 0.712 5.033 4.320 0.001 0.000 0.290 263 A C -1.345 176.168 177.584 -0.119 0.000 1.086 263 A CA -0.550 51.427 52.037 -0.100 0.000 0.665 263 A CB 1.107 20.038 19.000 -0.115 0.000 1.279 263 A HN 0.547 nan 8.150 nan 0.000 0.423 264 I N 2.575 123.075 120.570 -0.117 0.000 2.359 264 I HA 0.347 4.517 4.170 0.001 0.000 0.284 264 I C -1.980 174.018 176.117 -0.199 0.000 1.018 264 I CA -1.768 59.462 61.300 -0.116 0.000 1.173 264 I CB 1.783 39.743 38.000 -0.067 0.000 1.326 264 I HN 0.488 nan 8.210 nan 0.000 0.462 265 P HA 0.021 nan 4.420 nan 0.000 0.269 265 P C -1.038 175.862 177.300 -0.666 0.000 1.209 265 P CA -0.194 62.535 63.100 -0.618 0.000 0.776 265 P CB 0.912 32.045 31.700 -0.944 0.000 0.876 266 N N 1.774 120.057 118.700 -0.696 0.000 2.518 266 N HA 0.167 4.908 4.740 0.001 0.000 0.254 266 N C -0.237 174.981 175.510 -0.487 0.000 0.979 266 N CA -0.679 52.105 53.050 -0.444 0.000 0.930 266 N CB 0.511 38.853 38.487 -0.241 0.000 1.152 266 N HN 0.384 nan 8.380 nan 0.000 0.505 267 W N 1.819 123.089 121.300 -0.049 0.000 3.256 267 W HA 0.200 4.860 4.660 0.001 0.000 0.269 267 W C 1.217 177.700 176.519 -0.061 0.000 1.310 267 W CA -0.420 56.883 57.345 -0.069 0.000 1.673 267 W CB 0.533 29.942 29.460 -0.085 0.000 1.115 267 W HN 0.480 nan 8.180 nan 0.000 0.686 268 E N 0.327 120.576 120.200 0.080 0.000 2.447 268 E HA 0.009 4.360 4.350 0.001 0.000 0.195 268 E C 0.454 177.056 176.600 0.004 0.000 1.028 268 E CA 0.311 56.738 56.400 0.046 0.000 0.876 268 E CB -0.311 29.408 29.700 0.032 0.000 0.885 268 E HN 0.441 nan 8.360 nan 0.000 0.500 269 Q N 0.888 120.673 119.800 -0.026 0.000 2.304 269 Q HA 0.168 4.508 4.340 0.001 0.000 0.301 269 Q C -0.053 175.929 176.000 -0.030 0.000 1.063 269 Q CA 0.058 55.837 55.803 -0.041 0.000 0.947 269 Q CB 0.494 29.190 28.738 -0.070 0.000 1.201 269 Q HN 0.062 nan 8.270 nan 0.000 0.389 270 A N 3.697 126.498 122.820 -0.031 0.000 2.340 270 A HA 0.397 4.718 4.320 0.001 0.000 0.268 270 A C -0.011 177.548 177.584 -0.041 0.000 1.100 270 A CA -0.525 51.489 52.037 -0.037 0.000 0.803 270 A CB 0.441 19.421 19.000 -0.032 0.000 1.043 270 A HN 0.754 nan 8.150 nan 0.000 0.488 271 M N 1.332 120.895 119.600 -0.061 0.000 2.243 271 M HA 0.204 4.685 4.480 0.001 0.000 0.341 271 M C 0.381 176.664 176.300 -0.028 0.000 1.130 271 M CA 0.543 55.810 55.300 -0.054 0.000 1.162 271 M CB 0.580 33.111 32.600 -0.116 0.000 1.497 271 M HN 0.612 nan 8.290 nan 0.000 0.456 272 R N 3.381 123.888 120.500 0.012 0.000 3.785 272 R HA 0.348 4.688 4.340 0.001 0.000 0.255 272 R C -0.691 175.641 176.300 0.054 0.000 1.485 272 R CA -0.055 56.064 56.100 0.032 0.000 1.555 272 R CB -0.228 30.102 30.300 0.049 0.000 1.362 272 R HN 0.633 nan 8.270 nan 0.000 0.702 273 L N 1.768 123.016 121.223 0.043 0.000 3.083 273 L HA 0.250 4.590 4.340 0.001 0.000 0.286 273 L C -1.444 175.488 176.870 0.103 0.000 1.307 273 L CA -1.260 53.634 54.840 0.090 0.000 0.897 273 L CB 0.871 43.008 42.059 0.130 0.000 1.306 273 L HN 0.152 nan 8.230 nan 0.000 0.569 274 P HA -0.196 nan 4.420 nan 0.000 0.214 274 P C 1.612 178.948 177.300 0.061 0.000 1.163 274 P CA 1.881 65.010 63.100 0.048 0.000 0.889 274 P CB 0.316 32.034 31.700 0.029 0.000 0.790 275 G N -0.957 107.883 108.800 0.066 0.000 2.459 275 G HA2 -0.311 3.649 3.960 0.001 0.000 0.217 275 G HA3 -0.311 3.649 3.960 0.001 0.000 0.217 275 G C 1.699 176.649 174.900 0.085 0.000 1.183 275 G CA 0.851 45.987 45.100 0.059 0.000 0.776 275 G HN 0.222 nan 8.290 nan 0.000 0.552 276 Y N 1.061 121.369 120.300 0.013 0.000 2.097 276 Y HA -0.113 4.437 4.550 0.001 0.000 0.282 276 Y C 2.972 178.918 175.900 0.077 0.000 1.152 276 Y CA 2.067 60.190 58.100 0.039 0.000 1.136 276 Y CB -0.163 38.337 38.460 0.067 0.000 0.975 276 Y HN 0.125 nan 8.280 nan 0.000 0.498 277 M N -0.421 119.300 119.600 0.202 0.000 2.279 277 M HA -0.166 4.315 4.480 0.001 0.000 0.264 277 M C 2.248 178.550 176.300 0.004 0.000 1.062 277 M CA 1.774 57.145 55.300 0.118 0.000 1.099 277 M CB -0.561 32.119 32.600 0.134 0.000 1.394 277 M HN 0.486 nan 8.290 nan 0.000 0.426 278 S N 0.207 115.904 115.700 -0.004 0.000 2.461 278 S HA -0.034 4.436 4.470 0.001 0.000 0.228 278 S C 2.122 176.686 174.600 -0.060 0.000 1.005 278 S CA 0.978 59.165 58.200 -0.022 0.000 0.942 278 S CB -0.549 62.646 63.200 -0.008 0.000 0.776 278 S HN 0.558 nan 8.310 nan 0.000 0.514 279 R N 0.936 121.371 120.500 -0.109 0.000 2.276 279 R HA 0.503 4.844 4.340 0.001 0.000 0.196 279 R C 1.086 177.266 176.300 -0.199 0.000 0.961 279 R CA 0.638 56.650 56.100 -0.146 0.000 1.024 279 R CB -1.010 29.196 30.300 -0.158 0.000 0.940 279 R HN 0.638 nan 8.270 nan 0.000 0.480 280 M N 2.404 121.862 119.600 -0.236 0.000 2.284 280 M HA 0.119 4.600 4.480 0.001 0.000 0.351 280 M C -2.036 174.189 176.300 -0.125 0.000 1.443 280 M CA -1.353 53.818 55.300 -0.214 0.000 1.031 280 M CB 0.489 33.005 32.600 -0.141 0.000 1.893 280 M HN 0.023 nan 8.290 nan 0.000 0.456 281 P HA 0.086 nan 4.420 nan 0.000 0.264 281 P C -0.203 177.055 177.300 -0.069 0.000 1.183 281 P CA 0.349 63.392 63.100 -0.095 0.000 0.763 281 P CB 0.339 31.976 31.700 -0.105 0.000 0.807 282 K N 4.341 124.706 120.400 -0.059 0.000 2.098 282 K HA 0.417 4.738 4.320 0.001 0.000 0.257 282 K C -2.159 174.415 176.600 -0.043 0.000 0.999 282 K CA -1.659 54.605 56.287 -0.039 0.000 0.924 282 K CB -1.243 31.241 32.500 -0.028 0.000 1.028 282 K HN 0.491 nan 8.250 nan 0.000 0.466 283 P HA 0.122 nan 4.420 nan 0.000 0.266 283 P C -2.369 174.912 177.300 -0.032 0.000 1.195 283 P CA -0.752 62.330 63.100 -0.030 0.000 0.768 283 P CB -0.305 31.387 31.700 -0.014 0.000 0.838 284 P HA 0.026 nan 4.420 nan 0.000 0.265 284 P C -0.229 177.080 177.300 0.016 0.000 1.187 284 P CA 0.420 63.496 63.100 -0.040 0.000 0.766 284 P CB 0.744 32.406 31.700 -0.063 0.000 0.820 285 E N 1.676 121.920 120.200 0.073 0.000 2.331 285 E HA 0.047 4.397 4.350 0.001 0.000 0.272 285 E C 0.720 177.384 176.600 0.105 0.000 1.036 285 E CA -0.610 55.856 56.400 0.110 0.000 0.864 285 E CB 0.632 30.447 29.700 0.192 0.000 1.035 285 E HN 0.421 nan 8.360 nan 0.000 0.408 286 D N 1.577 122.014 120.400 0.061 0.000 2.144 286 D HA -0.174 4.467 4.640 0.001 0.000 0.199 286 D C 2.031 178.357 176.300 0.043 0.000 0.984 286 D CA 1.708 55.737 54.000 0.049 0.000 0.834 286 D CB -0.064 40.756 40.800 0.032 0.000 0.955 286 D HN 0.442 nan 8.370 nan 0.000 0.465 287 S N 0.688 116.395 115.700 0.011 0.000 2.359 287 S HA -0.241 4.229 4.470 0.001 0.000 0.224 287 S C 1.915 176.485 174.600 -0.050 0.000 1.035 287 S CA 1.045 59.215 58.200 -0.049 0.000 1.018 287 S CB -0.729 62.397 63.200 -0.124 0.000 0.876 287 S HN 0.334 nan 8.310 nan 0.000 0.448 288 H N 1.884 120.962 119.070 0.013 0.000 2.293 288 H HA 0.065 4.621 4.556 0.001 0.000 0.300 288 H C 2.311 177.655 175.328 0.026 0.000 1.082 288 H CA 1.795 57.852 56.048 0.015 0.000 1.308 288 H CB -0.579 29.183 29.762 0.001 0.000 1.375 288 H HN 0.366 nan 8.280 nan 0.000 0.495 289 L N 0.647 121.964 121.223 0.156 0.000 2.127 289 L HA -0.181 4.159 4.340 0.001 0.000 0.211 289 L C 2.372 179.305 176.870 0.105 0.000 1.089 289 L CA 1.230 56.133 54.840 0.106 0.000 0.757 289 L CB -0.369 41.735 42.059 0.075 0.000 0.899 289 L HN 0.328 nan 8.230 nan 0.000 0.434 290 E N -0.336 119.913 120.200 0.081 0.000 2.107 290 E HA -0.254 4.096 4.350 0.001 0.000 0.191 290 E C 2.138 178.779 176.600 0.068 0.000 0.982 290 E CA 0.717 57.158 56.400 0.068 0.000 0.809 290 E CB -0.004 29.721 29.700 0.042 0.000 0.756 290 E HN 0.470 nan 8.360 nan 0.000 0.459 291 Q N 0.799 120.637 119.800 0.063 0.000 2.226 291 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 291 Q C 2.005 178.060 176.000 0.092 0.000 0.975 291 Q CA 0.999 56.839 55.803 0.062 0.000 0.866 291 Q CB 0.061 28.829 28.738 0.050 0.000 0.915 291 Q HN 0.305 nan 8.270 nan 0.000 0.440 292 I N -0.551 120.092 120.570 0.122 0.000 2.193 292 I HA -0.229 3.942 4.170 0.001 0.000 0.240 292 I C 2.112 178.325 176.117 0.160 0.000 1.084 292 I CA 0.688 62.082 61.300 0.156 0.000 1.365 292 I CB -0.207 37.909 38.000 0.193 0.000 1.064 292 I HN 0.066 nan 8.210 nan 0.000 0.410 293 V N 1.122 121.129 119.914 0.156 0.000 2.469 293 V HA -0.295 3.825 4.120 0.001 0.000 0.251 293 V C 2.608 178.763 176.094 0.102 0.000 1.064 293 V CA 1.971 64.356 62.300 0.142 0.000 1.066 293 V CB -0.895 31.000 31.823 0.119 0.000 0.667 293 V HN 0.427 nan 8.190 nan 0.000 0.461 294 R N -0.103 120.447 120.500 0.083 0.000 2.075 294 R HA -0.090 4.250 4.340 0.001 0.000 0.232 294 R C 2.269 178.605 176.300 0.061 0.000 1.126 294 R CA 1.487 57.623 56.100 0.060 0.000 0.963 294 R CB -0.269 30.059 30.300 0.046 0.000 0.858 294 R HN 0.437 nan 8.270 nan 0.000 0.435 295 L N 0.477 121.741 121.223 0.069 0.000 2.083 295 L HA -0.168 4.172 4.340 0.001 0.000 0.209 295 L C 2.407 179.315 176.870 0.063 0.000 1.083 295 L CA 1.172 56.043 54.840 0.053 0.000 0.752 295 L CB -0.312 41.779 42.059 0.054 0.000 0.899 295 L HN 0.295 nan 8.230 nan 0.000 0.433 296 I N -0.338 120.294 120.570 0.103 0.000 2.226 296 I HA -0.303 3.867 4.170 0.001 0.000 0.245 296 I C 2.737 178.983 176.117 0.215 0.000 1.100 296 I CA 1.727 63.114 61.300 0.146 0.000 1.374 296 I CB -0.353 37.752 38.000 0.174 0.000 1.057 296 I HN 0.364 nan 8.210 nan 0.000 0.413 297 S N -0.012 115.768 115.700 0.135 0.000 2.453 297 S HA -0.134 4.337 4.470 0.001 0.000 0.231 297 S C 1.640 176.280 174.600 0.067 0.000 1.005 297 S CA 0.820 59.071 58.200 0.086 0.000 0.949 297 S CB -0.365 62.857 63.200 0.037 0.000 0.774 297 S HN 0.497 nan 8.310 nan 0.000 0.510 298 E N 1.693 121.929 120.200 0.060 0.000 2.478 298 E HA 0.084 4.434 4.350 0.001 0.000 0.194 298 E C 0.582 177.197 176.600 0.025 0.000 1.045 298 E CA 0.294 56.711 56.400 0.029 0.000 0.868 298 E CB 0.295 30.002 29.700 0.013 0.000 0.885 298 E HN 0.724 nan 8.360 nan 0.000 0.505 299 S N -0.716 115.021 115.700 0.062 0.000 2.687 299 S HA 0.555 5.025 4.470 0.001 0.000 0.283 299 S C 0.673 175.337 174.600 0.107 0.000 1.170 299 S CA -0.218 57.988 58.200 0.010 0.000 1.008 299 S CB 1.872 65.023 63.200 -0.082 0.000 1.026 299 S HN 0.068 nan 8.310 nan 0.000 0.541 300 K N 0.313 120.683 120.400 -0.050 0.000 2.474 300 K HA 0.382 4.703 4.320 0.001 0.000 0.202 300 K C 0.615 177.048 176.600 -0.279 0.000 1.248 300 K CA 0.185 56.466 56.287 -0.011 0.000 0.946 300 K CB -0.184 32.278 32.500 -0.064 0.000 1.102 300 K HN 0.714 nan 8.250 nan 0.000 0.541 301 K N 2.390 122.368 120.400 -0.704 0.000 2.877 301 K HA 0.241 4.562 4.320 0.001 0.000 0.176 301 K C -2.973 172.907 176.600 -1.200 0.000 1.075 301 K CA -1.782 53.478 56.287 -1.712 0.000 0.939 301 K CB 1.921 33.228 32.500 -1.988 0.000 1.237 301 K HN 0.235 nan 8.250 nan 0.000 0.607 302 P HA 0.198 nan 4.420 nan 0.000 0.284 302 P C -0.470 176.741 177.300 -0.147 0.000 1.253 302 P CA -0.407 62.392 63.100 -0.502 0.000 0.800 302 P CB 1.750 33.003 31.700 -0.745 0.000 0.961 303 V N 4.067 123.918 119.914 -0.105 0.000 2.668 303 V HA 0.274 4.394 4.120 0.001 0.000 0.304 303 V C 0.268 176.300 176.094 -0.103 0.000 1.071 303 V CA -0.736 61.553 62.300 -0.018 0.000 0.894 303 V CB 2.069 33.913 31.823 0.036 0.000 1.008 303 V HN 0.435 nan 8.190 nan 0.000 0.425 304 L N 4.512 125.665 121.223 -0.116 0.000 2.305 304 L HA 0.402 4.742 4.340 0.001 0.000 0.281 304 L C -0.878 175.941 176.870 -0.086 0.000 1.085 304 L CA -0.453 54.272 54.840 -0.192 0.000 0.813 304 L CB 0.728 42.669 42.059 -0.197 0.000 1.157 304 L HN 0.733 nan 8.230 nan 0.000 0.436 305 Y N 5.102 125.233 120.300 -0.281 0.000 2.919 305 Y HA 0.430 4.980 4.550 0.001 0.000 0.341 305 Y C -0.786 175.008 175.900 -0.176 0.000 1.045 305 Y CA -1.289 56.690 58.100 -0.203 0.000 1.218 305 Y CB 0.457 38.791 38.460 -0.210 0.000 1.137 305 Y HN 0.163 nan 8.280 nan 0.000 0.577 306 V N 5.078 124.982 119.914 -0.016 0.000 2.509 306 V HA 0.788 4.909 4.120 0.001 0.000 0.284 306 V C 0.650 176.718 176.094 -0.042 0.000 1.047 306 V CA 0.280 62.550 62.300 -0.050 0.000 0.952 306 V CB 0.978 32.809 31.823 0.013 0.000 0.988 306 V HN 0.851 nan 8.190 nan 0.000 0.469 307 G N 2.334 111.089 108.800 -0.075 0.000 3.222 307 G HA2 0.523 4.483 3.960 0.001 0.000 0.263 307 G HA3 0.523 4.483 3.960 0.001 0.000 0.263 307 G C 0.938 175.839 174.900 0.002 0.000 1.312 307 G CA 0.009 45.078 45.100 -0.050 0.000 0.934 307 G HN 0.860 nan 8.290 nan 0.000 0.577 308 G N -0.450 108.354 108.800 0.008 0.000 2.501 308 G HA2 0.098 4.058 3.960 0.001 0.000 0.220 308 G HA3 0.098 4.058 3.960 0.001 0.000 0.220 308 G C 1.556 176.468 174.900 0.020 0.000 1.114 308 G CA 1.578 46.693 45.100 0.024 0.000 0.757 308 G HN 1.049 nan 8.290 nan 0.000 0.559 309 G N -0.422 108.384 108.800 0.010 0.000 2.598 309 G HA2 -0.090 3.870 3.960 0.001 0.000 0.215 309 G HA3 -0.090 3.870 3.960 0.001 0.000 0.215 309 G C 1.290 176.199 174.900 0.015 0.000 1.131 309 G CA 1.051 46.157 45.100 0.009 0.000 0.785 309 G HN 0.456 nan 8.290 nan 0.000 0.539 310 C N 0.623 119.943 119.300 0.033 0.000 2.754 310 C HA 0.350 4.811 4.460 0.001 0.000 0.276 310 C C 2.463 177.487 174.990 0.056 0.000 1.264 310 C CA -0.603 58.443 59.018 0.047 0.000 1.700 310 C CB -1.082 26.703 27.740 0.075 0.000 1.885 310 C HN 0.419 nan 8.230 nan 0.000 0.607 311 L N 1.267 122.520 121.223 0.050 0.000 2.263 311 L HA -0.189 4.151 4.340 0.001 0.000 0.216 311 L C 1.561 178.463 176.870 0.054 0.000 1.111 311 L CA 1.599 56.474 54.840 0.057 0.000 0.773 311 L CB -0.523 41.567 42.059 0.050 0.000 0.906 311 L HN 0.579 nan 8.230 nan 0.000 0.439 312 N N -1.756 116.970 118.700 0.042 0.000 2.204 312 N HA 0.060 4.800 4.740 0.001 0.000 0.219 312 N C 0.420 175.954 175.510 0.040 0.000 1.151 312 N CA -0.195 52.879 53.050 0.039 0.000 0.867 312 N CB 0.685 39.188 38.487 0.028 0.000 1.043 312 N HN 0.027 nan 8.380 nan 0.000 0.516 313 S N -0.691 115.038 115.700 0.048 0.000 2.651 313 S HA 0.090 4.560 4.470 0.001 0.000 0.246 313 S C 1.331 175.981 174.600 0.084 0.000 1.039 313 S CA -0.407 57.824 58.200 0.050 0.000 1.013 313 S CB 0.598 63.813 63.200 0.026 0.000 0.861 313 S HN 0.197 nan 8.310 nan 0.000 0.485 314 S N 2.938 118.693 115.700 0.091 0.000 2.369 314 S HA -0.229 4.242 4.470 0.001 0.000 0.225 314 S C 1.502 176.179 174.600 0.128 0.000 1.043 314 S CA 2.008 60.277 58.200 0.115 0.000 1.074 314 S CB -0.285 62.972 63.200 0.096 0.000 0.962 314 S HN 0.520 nan 8.310 nan 0.000 0.433 315 D N 0.630 121.091 120.400 0.102 0.000 2.097 315 D HA -0.057 4.584 4.640 0.001 0.000 0.197 315 D C 2.093 178.468 176.300 0.124 0.000 0.984 315 D CA 1.312 55.375 54.000 0.105 0.000 0.826 315 D CB -0.718 40.130 40.800 0.080 0.000 0.973 315 D HN 0.468 nan 8.370 nan 0.000 0.460 316 E N 0.518 120.782 120.200 0.108 0.000 2.085 316 E HA -0.150 4.201 4.350 0.001 0.000 0.194 316 E C 1.969 178.675 176.600 0.175 0.000 0.994 316 E CA 0.317 56.787 56.400 0.117 0.000 0.801 316 E CB -0.371 29.369 29.700 0.065 0.000 0.743 316 E HN 0.144 nan 8.360 nan 0.000 0.453 317 L N 0.221 121.547 121.223 0.171 0.000 2.017 317 L HA -0.012 4.328 4.340 0.001 0.000 0.208 317 L C 2.091 179.146 176.870 0.309 0.000 1.073 317 L CA 2.328 57.304 54.840 0.227 0.000 0.745 317 L CB -1.062 41.117 42.059 0.200 0.000 0.894 317 L HN 0.184 nan 8.230 nan 0.000 0.432 318 G N -0.822 108.157 108.800 0.297 0.000 2.459 318 G HA2 -0.378 3.582 3.960 0.001 0.000 0.217 318 G HA3 -0.378 3.582 3.960 0.001 0.000 0.217 318 G C 1.739 176.796 174.900 0.262 0.000 1.183 318 G CA 0.946 46.244 45.100 0.330 0.000 0.776 318 G HN 0.383 nan 8.290 nan 0.000 0.552 319 R N 0.150 120.779 120.500 0.214 0.000 2.091 319 R HA -0.071 4.269 4.340 0.001 0.000 0.238 319 R C 2.169 178.586 176.300 0.194 0.000 1.136 319 R CA 1.527 57.732 56.100 0.175 0.000 0.959 319 R CB -1.134 29.258 30.300 0.153 0.000 0.856 319 R HN 0.344 nan 8.270 nan 0.000 0.437 320 F N -0.069 119.944 119.950 0.105 0.000 2.126 320 F HA -0.156 4.372 4.527 0.001 0.000 0.299 320 F C 1.817 177.672 175.800 0.091 0.000 1.096 320 F CA 1.685 59.748 58.000 0.105 0.000 1.255 320 F CB -0.226 38.852 39.000 0.130 0.000 0.997 320 F HN -0.100 nan 8.300 nan 0.000 0.479 321 V N 1.202 121.225 119.914 0.181 0.000 2.515 321 V HA -0.257 3.863 4.120 0.001 0.000 0.250 321 V C 2.205 178.314 176.094 0.026 0.000 1.058 321 V CA 1.982 64.310 62.300 0.047 0.000 1.064 321 V CB -1.024 30.807 31.823 0.014 0.000 0.675 321 V HN 0.559 nan 8.190 nan 0.000 0.461 322 E N 0.201 120.442 120.200 0.070 0.000 2.435 322 E HA -0.061 4.290 4.350 0.001 0.000 0.195 322 E C 1.886 178.491 176.600 0.008 0.000 1.029 322 E CA 0.729 57.164 56.400 0.058 0.000 0.865 322 E CB -0.125 29.625 29.700 0.083 0.000 0.833 322 E HN 0.558 nan 8.360 nan 0.000 0.510 323 L N 1.017 122.211 121.223 -0.048 0.000 2.477 323 L HA 0.102 4.442 4.340 0.001 0.000 0.220 323 L C 2.067 178.867 176.870 -0.118 0.000 1.106 323 L CA 1.191 55.984 54.840 -0.078 0.000 0.851 323 L CB 0.277 42.283 42.059 -0.089 0.000 0.994 323 L HN 0.331 nan 8.230 nan 0.000 0.462 324 T N -5.751 108.710 114.554 -0.155 0.000 2.964 324 T HA 0.197 4.547 4.350 0.001 0.000 0.250 324 T C 1.406 176.198 174.700 0.153 0.000 0.982 324 T CA 0.525 62.593 62.100 -0.054 0.000 0.959 324 T CB 0.673 69.383 68.868 -0.263 0.000 1.141 324 T HN 0.204 nan 8.240 nan 0.000 0.494 325 G N 2.117 110.963 108.800 0.076 0.000 2.273 325 G HA2 -0.200 3.761 3.960 0.001 0.000 0.280 325 G HA3 -0.200 3.761 3.960 0.001 0.000 0.280 325 G C -0.084 174.927 174.900 0.185 0.000 1.047 325 G CA 0.270 45.455 45.100 0.142 0.000 0.869 325 G HN 0.726 nan 8.290 nan 0.000 0.502 326 I N 1.875 122.475 120.570 0.050 0.000 2.353 326 I HA 0.295 4.465 4.170 0.001 0.000 0.293 326 I C -1.358 174.721 176.117 -0.063 0.000 0.992 326 I CA -2.510 58.760 61.300 -0.051 0.000 1.268 326 I CB 1.473 39.396 38.000 -0.128 0.000 1.387 326 I HN -0.037 nan 8.210 nan 0.000 0.478 327 P HA 0.036 nan 4.420 nan 0.000 0.268 327 P C -0.743 176.485 177.300 -0.120 0.000 1.205 327 P CA -0.033 63.017 63.100 -0.083 0.000 0.771 327 P CB 1.037 32.679 31.700 -0.096 0.000 0.858 328 V N 2.747 122.561 119.914 -0.167 0.000 2.334 328 V HA 0.505 4.626 4.120 0.001 0.000 0.281 328 V C 0.655 176.709 176.094 -0.066 0.000 1.016 328 V CA -0.691 61.503 62.300 -0.176 0.000 0.832 328 V CB 0.765 32.347 31.823 -0.402 0.000 0.999 328 V HN 0.736 nan 8.190 nan 0.000 0.439 329 A N 3.863 126.661 122.820 -0.038 0.000 2.303 329 A HA 0.873 5.193 4.320 0.001 0.000 0.317 329 A C 0.012 177.626 177.584 0.051 0.000 1.149 329 A CA -0.370 51.664 52.037 -0.005 0.000 0.822 329 A CB 1.499 20.480 19.000 -0.032 0.000 1.131 329 A HN 0.674 nan 8.150 nan 0.000 0.493 330 S N -0.718 115.020 115.700 0.064 0.000 2.570 330 S HA 0.726 5.196 4.470 0.001 0.000 0.286 330 S C 0.197 174.846 174.600 0.083 0.000 1.099 330 S CA -0.013 58.239 58.200 0.087 0.000 0.913 330 S CB 1.511 64.760 63.200 0.081 0.000 1.085 330 S HN 1.187 nan 8.310 nan 0.000 0.480 331 T N 0.576 115.189 114.554 0.099 0.000 2.824 331 T HA 0.380 4.730 4.350 0.001 0.000 0.277 331 T C 1.414 176.149 174.700 0.059 0.000 0.975 331 T CA -0.637 61.517 62.100 0.089 0.000 0.966 331 T CB 0.312 69.236 68.868 0.093 0.000 1.054 331 T HN 0.523 nan 8.240 nan 0.000 0.533 332 L N 0.026 121.293 121.223 0.074 0.000 2.131 332 L HA -0.037 4.304 4.340 0.001 0.000 0.210 332 L C 2.269 179.277 176.870 0.230 0.000 1.092 332 L CA 1.204 56.117 54.840 0.122 0.000 0.759 332 L CB -0.328 41.830 42.059 0.166 0.000 0.903 332 L HN 0.592 nan 8.230 nan 0.000 0.435 333 M N -0.989 118.701 119.600 0.150 0.000 2.419 333 M HA 0.040 4.520 4.480 0.001 0.000 0.264 333 M C 2.059 178.436 176.300 0.129 0.000 1.082 333 M CA 1.163 56.547 55.300 0.141 0.000 1.119 333 M CB -1.452 31.181 32.600 0.055 0.000 1.398 333 M HN 0.336 nan 8.290 nan 0.000 0.453 334 G N -0.054 108.798 108.800 0.087 0.000 2.777 334 G HA2 0.171 4.132 3.960 0.001 0.000 0.211 334 G HA3 0.171 4.132 3.960 0.001 0.000 0.211 334 G C 0.727 175.664 174.900 0.062 0.000 1.149 334 G CA -0.363 44.779 45.100 0.071 0.000 0.785 334 G HN 0.313 nan 8.290 nan 0.000 0.536 335 L N 0.767 121.986 121.223 -0.007 0.000 2.678 335 L HA 0.189 4.529 4.340 0.001 0.000 0.285 335 L C 1.677 178.541 176.870 -0.010 0.000 1.233 335 L CA 1.222 55.998 54.840 -0.107 0.000 0.920 335 L CB 0.093 41.813 42.059 -0.565 0.000 1.176 335 L HN 0.365 nan 8.230 nan 0.000 0.495 336 G N 1.554 110.418 108.800 0.106 0.000 2.254 336 G HA2 -0.309 3.652 3.960 0.001 0.000 0.225 336 G HA3 -0.309 3.652 3.960 0.001 0.000 0.225 336 G C 1.028 176.016 174.900 0.146 0.000 1.003 336 G CA 0.334 45.532 45.100 0.164 0.000 0.622 336 G HN 0.579 nan 8.290 nan 0.000 0.507 337 S N -0.919 114.868 115.700 0.145 0.000 2.400 337 S HA 0.090 4.560 4.470 0.001 0.000 0.232 337 S C 0.558 175.295 174.600 0.228 0.000 1.025 337 S CA 1.525 59.820 58.200 0.159 0.000 0.993 337 S CB -0.017 63.269 63.200 0.143 0.000 0.808 337 S HN 0.825 nan 8.310 nan 0.000 0.478 338 Y N 2.401 122.753 120.300 0.088 0.000 2.386 338 Y HA 0.401 4.951 4.550 0.001 0.000 0.334 338 Y C -2.525 173.431 175.900 0.093 0.000 1.002 338 Y CA -2.972 55.179 58.100 0.086 0.000 1.068 338 Y CB 1.131 39.636 38.460 0.076 0.000 1.203 338 Y HN -0.054 nan 8.280 nan 0.000 0.443 342 D N 1.128 121.539 120.400 0.019 0.000 2.859 342 D HA 0.064 4.704 4.640 0.001 0.000 0.223 342 D C 0.849 177.177 176.300 0.047 0.000 1.218 342 D CA -0.493 53.512 54.000 0.008 0.000 0.850 342 D CB 2.061 42.825 40.800 -0.061 0.000 1.656 342 D HN 0.324 nan 8.370 nan 0.000 0.484 343 E N 2.139 122.363 120.200 0.041 0.000 2.265 343 E HA -0.118 4.233 4.350 0.001 0.000 0.196 343 E C 1.287 177.902 176.600 0.024 0.000 0.996 343 E CA 0.771 57.183 56.400 0.020 0.000 0.832 343 E CB 0.069 29.777 29.700 0.013 0.000 0.756 343 E HN 0.412 nan 8.360 nan 0.000 0.491 344 L N 1.062 122.343 121.223 0.096 0.000 2.558 344 L HA 0.111 4.452 4.340 0.001 0.000 0.225 344 L C 1.045 177.962 176.870 0.079 0.000 1.128 344 L CA -0.243 54.651 54.840 0.090 0.000 0.868 344 L CB 0.483 42.628 42.059 0.144 0.000 1.006 344 L HN 0.004 nan 8.230 nan 0.000 0.454 345 S N 0.008 115.774 115.700 0.110 0.000 2.499 345 S HA 0.275 4.745 4.470 0.001 0.000 0.275 345 S C 0.820 175.270 174.600 -0.249 0.000 1.257 345 S CA -0.508 57.696 58.200 0.008 0.000 1.050 345 S CB 0.708 63.915 63.200 0.012 0.000 0.937 345 S HN 0.219 nan 8.310 nan 0.000 0.490 346 L N 4.558 125.693 121.223 -0.147 0.000 2.607 346 L HA 0.318 4.658 4.340 0.001 0.000 0.228 346 L C 0.596 177.426 176.870 -0.066 0.000 1.123 346 L CA -0.133 54.699 54.840 -0.014 0.000 0.890 346 L CB -0.775 41.292 42.059 0.014 0.000 1.103 346 L HN 0.902 nan 8.230 nan 0.000 0.468 347 H N -2.258 116.878 119.070 0.110 0.000 1.452 347 H HA -0.274 4.283 4.556 0.001 0.000 0.090 347 H C 0.270 175.581 175.328 -0.029 0.000 1.290 347 H CA 0.700 56.770 56.048 0.037 0.000 1.901 347 H CB -0.727 29.044 29.762 0.014 0.000 2.257 347 H HN 0.106 nan 8.280 nan 0.000 0.961 348 M N 1.620 121.277 119.600 0.096 0.000 2.233 348 M HA 0.332 4.813 4.480 0.001 0.000 0.350 348 M C -0.687 175.598 176.300 -0.026 0.000 1.176 348 M CA -0.736 54.574 55.300 0.017 0.000 1.150 348 M CB 0.352 32.950 32.600 -0.004 0.000 1.530 348 M HN 0.399 nan 8.290 nan 0.000 0.459 349 L N 2.902 124.113 121.223 -0.020 0.000 2.260 349 L HA 1.115 5.456 4.340 0.001 0.000 0.265 349 L C 0.094 176.952 176.870 -0.021 0.000 1.015 349 L CA -0.266 54.548 54.840 -0.042 0.000 0.826 349 L CB 0.136 42.150 42.059 -0.076 0.000 1.373 349 L HN 0.885 nan 8.230 nan 0.000 0.450 350 G N -1.047 107.739 108.800 -0.023 0.000 2.466 350 G HA2 -0.170 3.790 3.960 0.001 0.000 0.316 350 G HA3 -0.170 3.790 3.960 0.001 0.000 0.316 350 G C 0.334 175.222 174.900 -0.021 0.000 1.270 350 G CA 0.113 45.196 45.100 -0.029 0.000 0.982 350 G HN 1.143 nan 8.290 nan 0.000 0.506 351 M N -0.778 118.784 119.600 -0.063 0.000 2.103 351 M HA -0.145 4.335 4.480 0.001 0.000 0.255 351 M C 1.508 177.641 176.300 -0.278 0.000 1.074 351 M CA 2.575 57.768 55.300 -0.178 0.000 1.090 351 M CB -0.241 32.220 32.600 -0.231 0.000 1.325 351 M HN 0.581 nan 8.290 nan 0.000 0.403 352 H N -0.432 118.674 119.070 0.060 0.000 2.469 352 H HA 0.359 4.915 4.556 0.001 0.000 0.286 352 H C 0.411 175.760 175.328 0.035 0.000 1.106 352 H CA 0.266 56.350 56.048 0.060 0.000 1.055 352 H CB -0.579 29.214 29.762 0.051 0.000 1.618 352 H HN 0.428 nan 8.280 nan 0.000 0.559 353 G N 1.001 109.851 108.800 0.083 0.000 2.599 353 G HA2 0.195 4.155 3.960 0.001 0.000 0.264 353 G HA3 0.195 4.155 3.960 0.001 0.000 0.264 353 G C 0.395 175.287 174.900 -0.014 0.000 1.200 353 G CA -0.353 44.758 45.100 0.019 0.000 0.896 353 G HN 0.247 nan 8.290 nan 0.000 0.536 354 T N -1.673 112.792 114.554 -0.149 0.000 2.932 354 T HA 0.074 4.425 4.350 0.001 0.000 0.312 354 T C 1.566 176.142 174.700 -0.206 0.000 1.071 354 T CA -0.219 61.696 62.100 -0.309 0.000 1.128 354 T CB 1.257 69.532 68.868 -0.989 0.000 0.984 354 T HN 0.220 nan 8.240 nan 0.000 0.549 355 V N 3.079 122.992 119.914 -0.001 0.000 2.332 355 V HA -0.191 3.929 4.120 0.001 0.000 0.248 355 V C 2.195 178.405 176.094 0.192 0.000 1.055 355 V CA 2.239 64.662 62.300 0.205 0.000 1.038 355 V CB -1.393 30.577 31.823 0.245 0.000 0.651 355 V HN 1.059 nan 8.190 nan 0.000 0.450 356 Y N 0.493 120.859 120.300 0.110 0.000 2.293 356 Y HA 0.120 4.671 4.550 0.001 0.000 0.291 356 Y C 2.425 178.340 175.900 0.024 0.000 1.137 356 Y CA 0.942 59.060 58.100 0.029 0.000 1.202 356 Y CB -1.163 37.286 38.460 -0.017 0.000 0.990 356 Y HN 0.076 nan 8.280 nan 0.000 0.537 357 A N 1.697 124.374 122.820 -0.239 0.000 1.877 357 A HA -0.198 4.123 4.320 0.001 0.000 0.216 357 A C 2.020 179.525 177.584 -0.132 0.000 1.186 357 A CA 1.834 53.779 52.037 -0.153 0.000 0.620 357 A CB -0.802 18.075 19.000 -0.205 0.000 0.822 357 A HN 0.544 nan 8.150 nan 0.000 0.443 358 N N -1.598 117.028 118.700 -0.123 0.000 2.309 358 N HA -0.141 4.600 4.740 0.001 0.000 0.182 358 N C 1.516 176.661 175.510 -0.608 0.000 1.018 358 N CA 1.482 54.414 53.050 -0.196 0.000 0.876 358 N CB -0.489 38.036 38.487 0.064 0.000 0.972 358 N HN 0.714 nan 8.380 nan 0.000 0.434 359 Y N 1.776 121.640 120.300 -0.728 0.000 2.133 359 Y HA -0.087 4.464 4.550 0.001 0.000 0.287 359 Y C 2.378 178.050 175.900 -0.379 0.000 1.134 359 Y CA 1.757 59.334 58.100 -0.872 0.000 1.133 359 Y CB -0.495 37.774 38.460 -0.319 0.000 0.987 359 Y HN 0.044 nan 8.280 nan 0.000 0.502 360 A N -0.292 122.482 122.820 -0.076 0.000 1.917 360 A HA -0.216 4.105 4.320 0.001 0.000 0.219 360 A C 2.264 179.833 177.584 -0.025 0.000 1.182 360 A CA 2.407 54.448 52.037 0.007 0.000 0.633 360 A CB -1.409 17.576 19.000 -0.024 0.000 0.819 360 A HN 0.388 nan 8.150 nan 0.000 0.448 361 V N -0.279 119.496 119.914 -0.231 0.000 2.379 361 V HA -0.194 3.926 4.120 0.001 0.000 0.245 361 V C 2.517 178.321 176.094 -0.483 0.000 1.044 361 V CA 2.212 64.300 62.300 -0.354 0.000 1.036 361 V CB -0.726 30.844 31.823 -0.421 0.000 0.664 361 V HN 0.701 nan 8.190 nan 0.000 0.453 362 E N 0.097 119.933 120.200 -0.606 0.000 2.153 362 E HA -0.207 4.143 4.350 0.001 0.000 0.194 362 E C 1.729 177.847 176.600 -0.803 0.000 0.988 362 E CA 1.400 57.351 56.400 -0.748 0.000 0.811 362 E CB -0.120 28.959 29.700 -1.036 0.000 0.746 362 E HN 0.718 nan 8.360 nan 0.000 0.466 363 H N -0.636 118.197 119.070 -0.396 0.000 2.486 363 H HA 0.275 4.831 4.556 0.001 0.000 0.284 363 H C -0.119 175.054 175.328 -0.258 0.000 1.103 363 H CA 0.464 56.342 56.048 -0.284 0.000 1.089 363 H CB -0.054 29.514 29.762 -0.323 0.000 1.603 363 H HN 0.084 nan 8.280 nan 0.000 0.557 364 S N 0.809 116.384 115.700 -0.208 0.000 2.610 364 S HA 0.106 4.577 4.470 0.001 0.000 0.273 364 S C 0.877 175.265 174.600 -0.355 0.000 1.274 364 S CA -0.570 57.425 58.200 -0.341 0.000 1.023 364 S CB 1.843 64.920 63.200 -0.205 0.000 0.962 364 S HN 0.266 nan 8.310 nan 0.000 0.523 365 D N 0.197 120.349 120.400 -0.414 0.000 2.389 365 D HA 0.203 4.843 4.640 0.001 0.000 0.206 365 D C 0.007 176.143 176.300 -0.273 0.000 1.055 365 D CA -0.072 53.742 54.000 -0.309 0.000 0.856 365 D CB -0.144 40.480 40.800 -0.294 0.000 0.957 365 D HN 0.379 nan 8.370 nan 0.000 0.509 366 L N 0.638 121.691 121.223 -0.282 0.000 2.439 366 L HA 0.488 4.828 4.340 0.001 0.000 0.270 366 L C -2.034 174.726 176.870 -0.183 0.000 0.972 366 L CA -1.060 53.652 54.840 -0.212 0.000 0.836 366 L CB 2.052 43.999 42.059 -0.188 0.000 1.255 366 L HN -0.015 nan 8.230 nan 0.000 0.404 367 L N 6.040 127.188 121.223 -0.125 0.000 2.298 367 L HA 0.554 4.895 4.340 0.001 0.000 0.284 367 L C -1.280 175.574 176.870 -0.026 0.000 1.013 367 L CA -0.163 54.628 54.840 -0.082 0.000 0.824 367 L CB 1.273 43.294 42.059 -0.062 0.000 1.221 367 L HN 0.567 nan 8.230 nan 0.000 0.418 368 L N 6.304 127.446 121.223 -0.137 0.000 2.352 368 L HA 0.485 4.826 4.340 0.001 0.000 0.272 368 L C 0.503 177.108 176.870 -0.441 0.000 1.109 368 L CA -0.510 54.132 54.840 -0.329 0.000 0.952 368 L CB 0.780 42.435 42.059 -0.673 0.000 1.314 368 L HN 0.793 nan 8.230 nan 0.000 0.427 369 A N 4.153 126.960 122.820 -0.022 0.000 2.539 369 A HA 0.478 4.798 4.320 0.001 0.000 0.306 369 A C -0.546 177.188 177.584 0.249 0.000 1.392 369 A CA -0.099 51.894 52.037 -0.073 0.000 1.060 369 A CB -0.479 18.517 19.000 -0.007 0.000 1.134 369 A HN 0.408 nan 8.150 nan 0.000 0.542 370 F N 1.422 121.272 119.950 -0.166 0.000 2.361 370 F HA 0.525 5.052 4.527 0.001 0.000 0.364 370 F C 1.237 176.955 175.800 -0.137 0.000 1.117 370 F CA -0.685 57.250 58.000 -0.109 0.000 1.071 370 F CB 0.911 39.832 39.000 -0.132 0.000 1.188 370 F HN 0.835 nan 8.300 nan 0.000 0.464 371 G N 2.139 111.004 108.800 0.109 0.000 2.246 371 G HA2 -0.053 3.907 3.960 0.001 0.000 0.273 371 G HA3 -0.053 3.907 3.960 0.001 0.000 0.273 371 G C -0.443 174.429 174.900 -0.046 0.000 1.055 371 G CA 0.223 45.340 45.100 0.029 0.000 0.851 371 G HN 0.959 nan 8.290 nan 0.000 0.500 372 V N -3.651 116.198 119.914 -0.109 0.000 3.074 372 V HA 0.957 5.078 4.120 0.001 0.000 0.314 372 V C 0.580 176.653 176.094 -0.035 0.000 1.117 372 V CA -0.681 61.449 62.300 -0.284 0.000 1.014 372 V CB 1.917 33.118 31.823 -1.038 0.000 1.057 372 V HN 0.683 nan 8.190 nan 0.000 0.438 373 R N 0.546 121.048 120.500 0.003 0.000 2.659 373 R HA 0.429 4.769 4.340 0.001 0.000 0.418 373 R C -0.827 175.647 176.300 0.290 0.000 1.076 373 R CA -0.454 55.767 56.100 0.201 0.000 1.093 373 R CB -0.338 30.037 30.300 0.125 0.000 1.400 373 R HN 0.606 nan 8.270 nan 0.000 0.583 374 F N 1.717 121.665 119.950 -0.002 0.000 2.694 374 F HA -0.273 4.255 4.527 0.001 0.000 0.215 374 F C 0.265 176.020 175.800 -0.075 0.000 1.032 374 F CA 1.096 59.090 58.000 -0.009 0.000 0.871 374 F CB -1.576 37.403 39.000 -0.035 0.000 0.776 374 F HN 0.421 nan 8.300 nan 0.000 0.850 375 D N 0.870 121.292 120.400 0.036 0.000 2.339 375 D HA 0.204 4.844 4.640 0.001 0.000 0.245 375 D C 1.248 177.509 176.300 -0.065 0.000 1.115 375 D CA 0.199 54.198 54.000 -0.002 0.000 0.917 375 D CB 0.804 41.601 40.800 -0.004 0.000 1.192 375 D HN 0.424 nan 8.370 nan 0.000 0.428 376 D N 1.194 121.567 120.400 -0.045 0.000 2.221 376 D HA -0.235 4.405 4.640 0.001 0.000 0.204 376 D C 1.467 177.726 176.300 -0.069 0.000 0.982 376 D CA 0.816 54.780 54.000 -0.059 0.000 0.857 376 D CB 0.133 40.916 40.800 -0.028 0.000 0.934 376 D HN 0.111 nan 8.370 nan 0.000 0.475 377 R N 0.072 120.540 120.500 -0.052 0.000 2.120 377 R HA 0.025 4.365 4.340 0.001 0.000 0.234 377 R C 2.108 178.362 176.300 -0.076 0.000 1.123 377 R CA 0.604 56.679 56.100 -0.041 0.000 0.975 377 R CB -0.652 29.639 30.300 -0.015 0.000 0.866 377 R HN 0.290 nan 8.270 nan 0.000 0.446 378 V N -0.614 119.220 119.914 -0.135 0.000 2.685 378 V HA -0.081 4.039 4.120 0.001 0.000 0.244 378 V C 2.068 177.924 176.094 -0.396 0.000 1.054 378 V CA 1.808 63.976 62.300 -0.220 0.000 1.076 378 V CB -0.057 31.621 31.823 -0.242 0.000 0.725 378 V HN 0.514 nan 8.190 nan 0.000 0.467 379 T N -2.740 111.494 114.554 -0.533 0.000 2.976 379 T HA 0.301 4.652 4.350 0.001 0.000 0.257 379 T C 1.586 176.172 174.700 -0.191 0.000 1.051 379 T CA 1.353 63.016 62.100 -0.727 0.000 1.141 379 T CB 0.273 68.721 68.868 -0.700 0.000 0.881 379 T HN 0.875 nan 8.240 nan 0.000 0.461 380 G N 2.234 110.966 108.800 -0.114 0.000 2.557 380 G HA2 -0.343 3.617 3.960 0.001 0.000 0.292 380 G HA3 -0.343 3.617 3.960 0.001 0.000 0.292 380 G C -0.074 174.821 174.900 -0.007 0.000 1.162 380 G CA 0.274 45.357 45.100 -0.028 0.000 0.964 380 G HN 0.841 nan 8.290 nan 0.000 0.541 381 K N 1.491 121.910 120.400 0.032 0.000 2.250 381 K HA 0.565 4.885 4.320 0.001 0.000 0.280 381 K C 1.851 178.498 176.600 0.079 0.000 1.098 381 K CA -0.339 55.973 56.287 0.041 0.000 0.916 381 K CB 0.223 32.747 32.500 0.041 0.000 1.209 381 K HN 0.419 nan 8.250 nan 0.000 0.461 382 L N 3.032 124.294 121.223 0.064 0.000 2.064 382 L HA -0.316 4.024 4.340 0.001 0.000 0.216 382 L C 1.627 178.580 176.870 0.137 0.000 1.077 382 L CA 1.469 56.375 54.840 0.110 0.000 0.766 382 L CB -0.293 41.803 42.059 0.062 0.000 0.890 382 L HN 0.677 nan 8.230 nan 0.000 0.435 383 E N 0.007 120.256 120.200 0.082 0.000 2.097 383 E HA -0.225 4.125 4.350 0.001 0.000 0.196 383 E C 2.184 178.824 176.600 0.067 0.000 1.000 383 E CA 1.570 58.008 56.400 0.063 0.000 0.804 383 E CB -0.403 29.320 29.700 0.038 0.000 0.740 383 E HN 0.518 nan 8.360 nan 0.000 0.454 384 A N 0.078 122.944 122.820 0.077 0.000 2.119 384 A HA 0.017 4.337 4.320 0.001 0.000 0.216 384 A C 0.636 178.259 177.584 0.065 0.000 1.152 384 A CA -0.222 51.849 52.037 0.056 0.000 0.708 384 A CB -0.423 18.611 19.000 0.057 0.000 0.805 384 A HN 0.243 nan 8.150 nan 0.000 0.460 385 F N 1.204 121.139 119.950 -0.025 0.000 2.533 385 F HA 0.369 4.896 4.527 0.001 0.000 0.378 385 F C 1.155 176.928 175.800 -0.045 0.000 1.070 385 F CA -0.313 57.661 58.000 -0.045 0.000 1.172 385 F CB 0.049 39.044 39.000 -0.009 0.000 1.085 385 F HN 0.472 nan 8.300 nan 0.000 0.552 386 A N 3.605 125.967 122.820 -0.764 0.000 2.748 386 A HA -0.318 4.002 4.320 0.001 0.000 0.297 386 A C 1.831 179.249 177.584 -0.276 0.000 1.508 386 A CA 1.131 52.798 52.037 -0.617 0.000 0.799 386 A CB -2.396 16.133 19.000 -0.786 0.000 1.011 386 A HN 1.418 nan 8.150 nan 0.000 0.500 387 S N -1.438 114.150 115.700 -0.188 0.000 2.419 387 S HA 0.012 4.483 4.470 0.001 0.000 0.235 387 S C 1.398 175.948 174.600 -0.084 0.000 1.019 387 S CA 1.713 59.861 58.200 -0.086 0.000 0.982 387 S CB -0.464 62.700 63.200 -0.061 0.000 0.789 387 S HN 2.099 nan 8.310 nan 0.000 0.490 388 R N 0.516 120.935 120.500 -0.135 0.000 3.335 388 R HA 0.840 5.180 4.340 0.001 0.000 0.337 388 R C 0.015 176.219 176.300 -0.160 0.000 1.283 388 R CA 0.045 56.074 56.100 -0.119 0.000 1.246 388 R CB -0.725 29.510 30.300 -0.108 0.000 1.464 388 R HN 0.938 nan 8.270 nan 0.000 0.607 389 A N 0.285 123.005 122.820 -0.166 0.000 2.608 389 A HA 0.612 4.933 4.320 0.001 0.000 0.292 389 A C -1.261 176.133 177.584 -0.315 0.000 1.066 389 A CA -0.898 51.002 52.037 -0.228 0.000 0.676 389 A CB 1.023 19.875 19.000 -0.246 0.000 1.277 389 A HN 0.333 nan 8.150 nan 0.000 0.413 390 K N 1.189 121.333 120.400 -0.427 0.000 2.349 390 K HA 0.433 4.754 4.320 0.001 0.000 0.288 390 K C -0.922 175.492 176.600 -0.310 0.000 1.058 390 K CA 0.334 56.189 56.287 -0.721 0.000 0.953 390 K CB 0.469 32.701 32.500 -0.447 0.000 0.997 390 K HN 0.511 nan 8.250 nan 0.000 0.477 391 I N 3.648 124.160 120.570 -0.096 0.000 2.321 391 I HA 0.153 4.323 4.170 0.001 0.000 0.291 391 I C -0.335 175.927 176.117 0.242 0.000 0.998 391 I CA -0.991 60.413 61.300 0.173 0.000 1.227 391 I CB 1.478 39.659 38.000 0.301 0.000 1.368 391 I HN 0.163 nan 8.210 nan 0.000 0.466 392 V N 6.066 126.117 119.914 0.228 0.000 2.370 392 V HA 0.293 4.414 4.120 0.001 0.000 0.283 392 V C -0.322 176.011 176.094 0.398 0.000 1.023 392 V CA -0.545 61.922 62.300 0.277 0.000 0.857 392 V CB 1.244 33.226 31.823 0.265 0.000 0.985 392 V HN 0.683 nan 8.190 nan 0.000 0.443 393 H N 5.399 124.614 119.070 0.241 0.000 2.708 393 H HA 0.581 5.138 4.556 0.001 0.000 0.320 393 H C -1.135 174.279 175.328 0.143 0.000 0.991 393 H CA -0.892 55.309 56.048 0.256 0.000 1.243 393 H CB 1.293 31.194 29.762 0.232 0.000 1.446 393 H HN 0.577 nan 8.280 nan 0.000 0.502 394 I N 5.582 126.320 120.570 0.279 0.000 2.328 394 I HA 0.178 4.349 4.170 0.001 0.000 0.287 394 I C -0.509 175.560 176.117 -0.080 0.000 1.012 394 I CA -0.184 61.086 61.300 -0.049 0.000 1.195 394 I CB 1.177 39.013 38.000 -0.274 0.000 1.350 394 I HN 0.585 nan 8.210 nan 0.000 0.464 395 D N 4.808 125.075 120.400 -0.222 0.000 2.645 395 D HA 0.241 4.881 4.640 0.001 0.000 0.228 395 D C 0.156 176.365 176.300 -0.152 0.000 1.148 395 D CA -0.515 53.381 54.000 -0.174 0.000 0.860 395 D CB 3.049 43.687 40.800 -0.269 0.000 1.548 395 D HN 0.340 nan 8.370 nan 0.000 0.460 396 I N 1.443 121.953 120.570 -0.101 0.000 3.428 396 I HA 0.039 4.210 4.170 0.001 0.000 0.286 396 I C -0.002 176.062 176.117 -0.089 0.000 1.287 396 I CA 0.609 61.853 61.300 -0.093 0.000 1.396 396 I CB -0.007 37.952 38.000 -0.068 0.000 1.062 396 I HN 0.193 nan 8.210 nan 0.000 0.471 397 D N -0.984 119.367 120.400 -0.082 0.000 2.453 397 D HA 0.157 4.797 4.640 0.001 0.000 0.238 397 D C 1.277 177.525 176.300 -0.086 0.000 1.088 397 D CA 0.268 54.229 54.000 -0.065 0.000 0.854 397 D CB 1.373 42.156 40.800 -0.028 0.000 1.076 397 D HN 0.190 nan 8.370 nan 0.000 0.533 398 S N 2.684 118.330 115.700 -0.090 0.000 2.419 398 S HA -0.197 4.273 4.470 0.001 0.000 0.235 398 S C 1.976 176.534 174.600 -0.069 0.000 1.019 398 S CA 0.910 59.053 58.200 -0.094 0.000 0.982 398 S CB -0.202 62.948 63.200 -0.083 0.000 0.789 398 S HN 0.434 nan 8.310 nan 0.000 0.490 399 A N 1.427 124.220 122.820 -0.046 0.000 2.070 399 A HA -0.038 4.283 4.320 0.001 0.000 0.220 399 A C 2.203 179.779 177.584 -0.013 0.000 1.159 399 A CA 1.269 53.291 52.037 -0.026 0.000 0.656 399 A CB -0.345 18.647 19.000 -0.013 0.000 0.800 399 A HN 0.487 nan 8.150 nan 0.000 0.453 400 E N -0.281 119.911 120.200 -0.012 0.000 2.250 400 E HA 0.101 4.451 4.350 0.001 0.000 0.192 400 E C 0.332 176.962 176.600 0.051 0.000 0.986 400 E CA 0.099 56.526 56.400 0.044 0.000 0.849 400 E CB -0.104 29.648 29.700 0.086 0.000 0.797 400 E HN 0.656 nan 8.360 nan 0.000 0.482 401 I N 1.394 121.918 120.570 -0.076 0.000 2.483 401 I HA 0.071 4.241 4.170 0.001 0.000 0.291 401 I C 1.080 177.176 176.117 -0.034 0.000 1.112 401 I CA 0.506 61.743 61.300 -0.105 0.000 1.350 401 I CB -0.012 37.863 38.000 -0.209 0.000 1.419 401 I HN 0.154 nan 8.210 nan 0.000 0.523 402 G N 4.913 113.704 108.800 -0.014 0.000 2.131 402 G HA2 -0.284 3.676 3.960 0.001 0.000 0.223 402 G HA3 -0.284 3.676 3.960 0.001 0.000 0.223 402 G C 0.948 175.811 174.900 -0.062 0.000 0.990 402 G CA 0.319 45.381 45.100 -0.063 0.000 0.671 402 G HN 0.706 nan 8.290 nan 0.000 0.521 403 K N -0.348 120.024 120.400 -0.046 0.000 2.031 403 K HA 0.026 4.346 4.320 0.001 0.000 0.205 403 K C 1.984 178.560 176.600 -0.041 0.000 1.049 403 K CA 1.450 57.721 56.287 -0.026 0.000 0.939 403 K CB -0.113 32.393 32.500 0.011 0.000 0.717 403 K HN 0.347 nan 8.250 nan 0.000 0.438 404 N N -0.581 118.072 118.700 -0.078 0.000 2.382 404 N HA 0.047 4.787 4.740 0.001 0.000 0.200 404 N C -0.433 175.008 175.510 -0.115 0.000 1.122 404 N CA 0.223 53.234 53.050 -0.064 0.000 0.870 404 N CB 0.945 39.431 38.487 -0.002 0.000 1.176 404 N HN -0.073 nan 8.380 nan 0.000 0.474 405 K N 1.067 121.297 120.400 -0.284 0.000 2.427 405 K HA 0.372 4.692 4.320 0.001 0.000 0.252 405 K C -1.025 175.420 176.600 -0.258 0.000 0.931 405 K CA -0.227 55.892 56.287 -0.281 0.000 0.793 405 K CB 2.309 34.546 32.500 -0.439 0.000 1.211 405 K HN -0.183 nan 8.250 nan 0.000 0.426 406 T N 5.079 119.552 114.554 -0.135 0.000 2.723 406 T HA 0.308 4.659 4.350 0.001 0.000 0.297 406 T C -2.193 172.454 174.700 -0.089 0.000 0.925 406 T CA -1.184 60.849 62.100 -0.112 0.000 1.030 406 T CB 0.842 69.644 68.868 -0.109 0.000 0.905 406 T HN 0.211 nan 8.240 nan 0.000 0.502 407 P HA 0.297 nan 4.420 nan 0.000 0.274 407 P C 0.237 177.560 177.300 0.039 0.000 1.256 407 P CA -0.450 62.710 63.100 0.101 0.000 0.795 407 P CB 0.674 32.465 31.700 0.153 0.000 1.038 408 H N -1.880 117.224 119.070 0.055 0.000 2.639 408 H HA 0.321 4.877 4.556 0.001 0.000 0.267 408 H C -0.095 175.269 175.328 0.059 0.000 0.958 408 H CA 0.389 56.464 56.048 0.044 0.000 1.221 408 H CB 0.402 30.186 29.762 0.036 0.000 1.446 408 H HN -0.043 nan 8.280 nan 0.000 0.512 409 V N 0.809 120.849 119.914 0.210 0.000 2.777 409 V HA 0.432 4.552 4.120 0.001 0.000 0.306 409 V C -0.800 175.386 176.094 0.154 0.000 1.112 409 V CA -0.820 61.581 62.300 0.168 0.000 0.917 409 V CB 2.107 34.034 31.823 0.173 0.000 1.018 409 V HN 0.352 nan 8.190 nan 0.000 0.426 410 S N 3.245 119.006 115.700 0.101 0.000 2.599 410 S HA 0.934 5.405 4.470 0.001 0.000 0.287 410 S C -1.316 173.242 174.600 -0.070 0.000 1.105 410 S CA -0.804 57.416 58.200 0.033 0.000 0.899 410 S CB 2.340 65.532 63.200 -0.013 0.000 1.100 410 S HN 0.616 nan 8.310 nan 0.000 0.482 411 V N 1.113 120.947 119.914 -0.133 0.000 2.532 411 V HA 0.385 4.506 4.120 0.001 0.000 0.294 411 V C -0.642 175.319 176.094 -0.223 0.000 1.036 411 V CA -0.838 61.319 62.300 -0.237 0.000 0.876 411 V CB 1.229 32.932 31.823 -0.199 0.000 1.012 411 V HN 1.186 nan 8.190 nan 0.000 0.432 412 C N 5.473 124.636 119.300 -0.228 0.000 2.227 412 C HA 0.876 5.336 4.460 0.001 0.000 0.333 412 C C 0.836 175.725 174.990 -0.168 0.000 1.145 412 C CA 0.794 59.698 59.018 -0.189 0.000 1.643 412 C CB -1.514 26.128 27.740 -0.162 0.000 2.185 412 C HN 1.213 nan 8.230 nan 0.000 0.497 413 G N 4.263 112.968 108.800 -0.158 0.000 2.340 413 G HA2 0.289 4.249 3.960 0.001 0.000 0.299 413 G HA3 0.289 4.249 3.960 0.001 0.000 0.299 413 G C -1.757 173.066 174.900 -0.128 0.000 1.291 413 G CA -0.431 44.589 45.100 -0.133 0.000 0.841 413 G HN 0.504 nan 8.290 nan 0.000 0.500 414 D N 0.199 120.534 120.400 -0.108 0.000 2.358 414 D HA 0.189 4.829 4.640 0.001 0.000 0.258 414 D C 1.529 177.748 176.300 -0.135 0.000 1.223 414 D CA 0.066 54.007 54.000 -0.098 0.000 0.886 414 D CB 1.611 42.370 40.800 -0.068 0.000 1.120 414 D HN 0.274 nan 8.370 nan 0.000 0.482 415 V N 5.336 125.157 119.914 -0.154 0.000 2.469 415 V HA -0.201 3.919 4.120 0.001 0.000 0.251 415 V C 2.287 178.260 176.094 -0.202 0.000 1.064 415 V CA 2.162 64.318 62.300 -0.241 0.000 1.066 415 V CB -0.340 31.352 31.823 -0.218 0.000 0.667 415 V HN 0.652 nan 8.190 nan 0.000 0.461 416 K N -0.493 119.840 120.400 -0.112 0.000 2.057 416 K HA -0.150 4.170 4.320 0.001 0.000 0.207 416 K C 2.044 178.603 176.600 -0.068 0.000 1.049 416 K CA 1.929 58.174 56.287 -0.069 0.000 0.931 416 K CB -0.211 32.271 32.500 -0.030 0.000 0.714 416 K HN 0.544 nan 8.250 nan 0.000 0.440 417 L N 0.337 121.515 121.223 -0.075 0.000 2.072 417 L HA -0.068 4.272 4.340 0.001 0.000 0.205 417 L C 2.706 179.528 176.870 -0.079 0.000 1.079 417 L CA 0.991 55.796 54.840 -0.058 0.000 0.752 417 L CB -0.594 41.434 42.059 -0.051 0.000 0.906 417 L HN 0.251 nan 8.230 nan 0.000 0.436 418 A N 0.433 123.169 122.820 -0.140 0.000 1.940 418 A HA -0.172 4.148 4.320 0.001 0.000 0.219 418 A C 2.272 179.756 177.584 -0.167 0.000 1.176 418 A CA 1.463 53.395 52.037 -0.175 0.000 0.631 418 A CB -0.669 18.151 19.000 -0.301 0.000 0.814 418 A HN 0.347 nan 8.150 nan 0.000 0.446 419 L N -0.910 120.192 121.223 -0.201 0.000 2.056 419 L HA -0.250 4.090 4.340 0.001 0.000 0.207 419 L C 2.914 179.801 176.870 0.029 0.000 1.078 419 L CA 1.601 56.361 54.840 -0.133 0.000 0.749 419 L CB -0.624 41.356 42.059 -0.132 0.000 0.901 419 L HN 0.484 nan 8.230 nan 0.000 0.433 420 Q N -0.318 119.490 119.800 0.014 0.000 2.124 420 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 420 Q C 2.294 178.327 176.000 0.055 0.000 0.977 420 Q CA 1.469 57.299 55.803 0.045 0.000 0.850 420 Q CB -0.425 28.328 28.738 0.026 0.000 0.901 420 Q HN 0.623 nan 8.270 nan 0.000 0.429 421 G N 0.853 109.674 108.800 0.034 0.000 2.404 421 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 421 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 421 G C 1.414 176.362 174.900 0.081 0.000 1.174 421 G CA 0.556 45.682 45.100 0.044 0.000 0.780 421 G HN 0.162 nan 8.290 nan 0.000 0.537 422 M N 0.717 120.383 119.600 0.110 0.000 2.279 422 M HA -0.029 4.451 4.480 0.001 0.000 0.264 422 M C 2.252 178.684 176.300 0.221 0.000 1.062 422 M CA 0.783 56.201 55.300 0.196 0.000 1.099 422 M CB -0.323 32.466 32.600 0.315 0.000 1.394 422 M HN 0.113 nan 8.290 nan 0.000 0.426 423 N N 0.942 119.772 118.700 0.216 0.000 2.142 423 N HA -0.103 4.638 4.740 0.001 0.000 0.186 423 N C 1.506 177.080 175.510 0.106 0.000 1.023 423 N CA 1.184 54.342 53.050 0.179 0.000 0.852 423 N CB -0.220 38.370 38.487 0.172 0.000 0.998 423 N HN 0.383 nan 8.380 nan 0.000 0.424 424 K N 0.461 120.914 120.400 0.088 0.000 2.009 424 K HA -0.063 4.257 4.320 0.001 0.000 0.210 424 K C 2.026 178.660 176.600 0.057 0.000 1.049 424 K CA 1.085 57.409 56.287 0.062 0.000 0.929 424 K CB -0.410 32.121 32.500 0.052 0.000 0.714 424 K HN -0.044 nan 8.250 nan 0.000 0.440 425 V N 2.236 122.190 119.914 0.066 0.000 2.252 425 V HA -0.275 3.846 4.120 0.001 0.000 0.249 425 V C 2.353 178.477 176.094 0.050 0.000 1.056 425 V CA 1.787 64.121 62.300 0.058 0.000 1.022 425 V CB -0.540 31.326 31.823 0.071 0.000 0.641 425 V HN 0.285 nan 8.190 nan 0.000 0.445 426 L N -0.486 120.772 121.223 0.058 0.000 2.079 426 L HA -0.229 4.112 4.340 0.001 0.000 0.210 426 L C 2.577 179.457 176.870 0.018 0.000 1.081 426 L CA 1.807 56.664 54.840 0.028 0.000 0.752 426 L CB -0.544 41.517 42.059 0.005 0.000 0.896 426 L HN 0.409 nan 8.230 nan 0.000 0.433 427 E N -0.189 120.029 120.200 0.031 0.000 2.150 427 E HA -0.173 4.177 4.350 0.001 0.000 0.193 427 E C 1.829 178.440 176.600 0.019 0.000 0.985 427 E CA 0.927 57.342 56.400 0.025 0.000 0.814 427 E CB 0.232 29.953 29.700 0.035 0.000 0.752 427 E HN 0.512 nan 8.360 nan 0.000 0.466 428 N N 0.373 119.086 118.700 0.022 0.000 2.176 428 N HA -0.043 4.697 4.740 0.001 0.000 0.187 428 N C 1.179 176.696 175.510 0.012 0.000 1.043 428 N CA 0.729 53.790 53.050 0.018 0.000 0.851 428 N CB -0.322 38.178 38.487 0.021 0.000 1.018 428 N HN 0.023 nan 8.380 nan 0.000 0.436 429 R N 1.545 122.053 120.500 0.014 0.000 2.362 429 R HA 0.188 4.528 4.340 0.001 0.000 0.204 429 R C 1.576 177.876 176.300 -0.000 0.000 1.088 429 R CA 0.060 56.164 56.100 0.008 0.000 1.121 429 R CB -0.293 30.015 30.300 0.013 0.000 0.954 429 R HN 0.219 nan 8.270 nan 0.000 0.478 430 A N 1.850 124.669 122.820 -0.002 0.000 1.859 430 A HA -0.336 3.985 4.320 0.001 0.000 0.218 430 A C 2.451 180.024 177.584 -0.018 0.000 1.209 430 A CA 2.437 54.467 52.037 -0.011 0.000 0.639 430 A CB -0.887 18.109 19.000 -0.007 0.000 0.835 430 A HN 0.509 nan 8.150 nan 0.000 0.450 431 E N 0.483 120.675 120.200 -0.013 0.000 2.038 431 E HA -0.281 4.069 4.350 0.001 0.000 0.195 431 E C 1.742 178.330 176.600 -0.019 0.000 1.000 431 E CA 1.968 58.358 56.400 -0.016 0.000 0.803 431 E CB -1.213 28.481 29.700 -0.010 0.000 0.750 431 E HN 0.968 nan 8.360 nan 0.000 0.448 432 E N -0.038 120.154 120.200 -0.014 0.000 2.338 432 E HA 0.011 4.362 4.350 0.001 0.000 0.197 432 E C 2.158 178.745 176.600 -0.021 0.000 1.007 432 E CA 1.001 57.392 56.400 -0.015 0.000 0.849 432 E CB -0.168 29.527 29.700 -0.008 0.000 0.774 432 E HN 0.527 nan 8.360 nan 0.000 0.506 433 L N 0.557 121.765 121.223 -0.025 0.000 2.189 433 L HA 0.067 4.407 4.340 0.001 0.000 0.199 433 L C 1.414 178.246 176.870 -0.063 0.000 1.074 433 L CA 0.710 55.529 54.840 -0.036 0.000 0.783 433 L CB -0.427 41.615 42.059 -0.028 0.000 0.955 433 L HN 0.224 nan 8.230 nan 0.000 0.460 434 K N 1.390 121.750 120.400 -0.066 0.000 4.007 434 K HA -0.197 4.124 4.320 0.001 0.000 0.279 434 K C -0.302 176.209 176.600 -0.148 0.000 0.919 434 K CA 0.851 57.086 56.287 -0.087 0.000 0.800 434 K CB -3.043 29.414 32.500 -0.072 0.000 1.572 434 K HN 0.305 nan 8.250 nan 0.000 0.443 435 L N 0.904 122.019 121.223 -0.181 0.000 2.360 435 L HA 0.473 4.814 4.340 0.001 0.000 0.276 435 L C 0.483 177.099 176.870 -0.425 0.000 1.121 435 L CA -0.450 54.179 54.840 -0.352 0.000 0.845 435 L CB 1.196 43.096 42.059 -0.265 0.000 1.143 435 L HN 0.649 nan 8.230 nan 0.000 0.452 436 D N 3.044 123.057 120.400 -0.644 0.000 2.479 436 D HA 0.254 4.894 4.640 0.001 0.000 0.246 436 D C -0.649 175.349 176.300 -0.503 0.000 1.336 436 D CA -0.337 53.406 54.000 -0.429 0.000 0.967 436 D CB 0.730 41.402 40.800 -0.214 0.000 1.275 436 D HN 0.226 nan 8.370 nan 0.000 0.577 437 F N 1.855 121.834 119.950 0.048 0.000 2.850 437 F HA 0.333 4.860 4.527 0.001 0.000 0.306 437 F C 1.969 177.845 175.800 0.126 0.000 1.162 437 F CA -0.669 57.395 58.000 0.105 0.000 1.327 437 F CB 1.116 40.205 39.000 0.149 0.000 0.953 437 F HN 0.503 nan 8.300 nan 0.000 0.507 438 G N 0.504 109.404 108.800 0.166 0.000 2.446 438 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 438 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 438 G C 1.712 176.697 174.900 0.142 0.000 1.168 438 G CA 1.269 46.441 45.100 0.121 0.000 0.771 438 G HN 0.234 nan 8.290 nan 0.000 0.551 439 V N 0.000 120.010 119.914 0.159 0.000 2.332 439 V HA -0.211 3.909 4.120 0.001 0.000 0.248 439 V C 2.269 178.520 176.094 0.261 0.000 1.055 439 V CA 1.979 64.380 62.300 0.169 0.000 1.038 439 V CB -0.730 31.186 31.823 0.154 0.000 0.651 439 V HN 0.664 nan 8.190 nan 0.000 0.450 440 W N 1.045 122.400 121.300 0.092 0.000 2.378 440 W HA -0.178 4.483 4.660 0.001 0.000 0.313 440 W C 2.781 179.339 176.519 0.065 0.000 1.197 440 W CA 1.400 58.792 57.345 0.078 0.000 1.304 440 W CB -0.117 29.393 29.460 0.084 0.000 1.148 440 W HN 0.130 nan 8.180 nan 0.000 0.494 441 R N 0.210 120.739 120.500 0.049 0.000 2.105 441 R HA -0.212 4.128 4.340 0.001 0.000 0.239 441 R C 1.761 177.983 176.300 -0.130 0.000 1.135 441 R CA 2.083 58.109 56.100 -0.124 0.000 0.967 441 R CB -0.639 29.662 30.300 0.001 0.000 0.861 441 R HN 0.244 nan 8.270 nan 0.000 0.442 442 N N 0.427 119.103 118.700 -0.040 0.000 2.142 442 N HA -0.161 4.579 4.740 0.001 0.000 0.186 442 N C 1.556 177.023 175.510 -0.072 0.000 1.023 442 N CA 0.958 53.983 53.050 -0.043 0.000 0.852 442 N CB -0.106 38.383 38.487 0.003 0.000 0.998 442 N HN 0.267 nan 8.380 nan 0.000 0.424 443 E N 0.311 120.486 120.200 -0.043 0.000 2.209 443 E HA -0.164 4.186 4.350 0.001 0.000 0.196 443 E C 1.427 177.926 176.600 -0.169 0.000 0.993 443 E CA 0.810 57.189 56.400 -0.034 0.000 0.819 443 E CB 0.021 29.793 29.700 0.120 0.000 0.745 443 E HN 0.360 nan 8.360 nan 0.000 0.477 444 L N 0.308 121.349 121.223 -0.304 0.000 2.168 444 L HA -0.046 4.295 4.340 0.001 0.000 0.203 444 L C 2.129 178.850 176.870 -0.248 0.000 1.078 444 L CA 0.345 54.982 54.840 -0.338 0.000 0.780 444 L CB -0.395 41.371 42.059 -0.489 0.000 0.939 444 L HN 0.062 nan 8.230 nan 0.000 0.451 445 N N 0.422 118.998 118.700 -0.206 0.000 2.430 445 N HA -0.142 4.598 4.740 0.001 0.000 0.186 445 N C 1.811 177.227 175.510 -0.156 0.000 1.032 445 N CA 1.631 54.574 53.050 -0.178 0.000 0.893 445 N CB -0.181 38.231 38.487 -0.124 0.000 0.957 445 N HN 0.375 nan 8.380 nan 0.000 0.442 446 V N -1.311 118.520 119.914 -0.139 0.000 2.488 446 V HA -0.055 4.066 4.120 0.001 0.000 0.246 446 V C 2.134 178.171 176.094 -0.095 0.000 1.046 446 V CA 1.072 63.312 62.300 -0.099 0.000 1.053 446 V CB -0.409 31.368 31.823 -0.077 0.000 0.679 446 V HN 0.020 nan 8.190 nan 0.000 0.458 447 Q N 1.096 120.790 119.800 -0.177 0.000 2.079 447 Q HA -0.151 4.189 4.340 0.001 0.000 0.200 447 Q C 2.291 178.269 176.000 -0.037 0.000 0.974 447 Q CA 2.101 57.815 55.803 -0.148 0.000 0.840 447 Q CB -0.433 28.055 28.738 -0.415 0.000 0.898 447 Q HN 0.761 nan 8.270 nan 0.000 0.430 448 K N 0.642 120.885 120.400 -0.263 0.000 2.280 448 K HA -0.174 4.147 4.320 0.001 0.000 0.202 448 K C 1.919 178.335 176.600 -0.306 0.000 1.047 448 K CA 1.099 56.990 56.287 -0.659 0.000 0.942 448 K CB 0.160 32.182 32.500 -0.796 0.000 0.739 448 K HN 0.155 nan 8.250 nan 0.000 0.457 449 Q N -0.404 119.311 119.800 -0.143 0.000 2.349 449 Q HA -0.043 4.297 4.340 0.001 0.000 0.209 449 Q C 1.997 177.983 176.000 -0.023 0.000 0.920 449 Q CA 0.918 56.674 55.803 -0.078 0.000 0.901 449 Q CB 0.263 28.956 28.738 -0.075 0.000 1.021 449 Q HN 0.204 nan 8.270 nan 0.000 0.519 450 K N -0.109 120.322 120.400 0.052 0.000 2.186 450 K HA 0.018 4.338 4.320 0.001 0.000 0.202 450 K C 0.397 176.942 176.600 -0.091 0.000 1.052 450 K CA 0.872 57.176 56.287 0.029 0.000 0.965 450 K CB 0.074 32.693 32.500 0.197 0.000 0.746 450 K HN 0.231 nan 8.250 nan 0.000 0.457 451 F N 1.182 121.149 119.950 0.028 0.000 2.597 451 F HA 0.277 4.805 4.527 0.001 0.000 0.336 451 F C -2.468 173.453 175.800 0.201 0.000 1.432 451 F CA -3.225 54.841 58.000 0.110 0.000 1.120 451 F CB 1.367 40.456 39.000 0.149 0.000 1.253 451 F HN -0.022 nan 8.300 nan 0.000 0.546 452 P HA 0.174 nan 4.420 nan 0.000 0.276 452 P C -0.018 177.445 177.300 0.272 0.000 1.252 452 P CA -0.342 62.914 63.100 0.260 0.000 0.802 452 P CB 1.723 33.482 31.700 0.098 0.000 1.035 453 L N 1.210 122.597 121.223 0.273 0.000 2.499 453 L HA 0.120 4.460 4.340 0.001 0.000 0.273 453 L C 1.112 178.178 176.870 0.326 0.000 1.195 453 L CA 0.713 55.697 54.840 0.241 0.000 0.882 453 L CB 0.078 42.149 42.059 0.020 0.000 1.133 453 L HN 0.584 nan 8.230 nan 0.000 0.483 454 S N 2.671 118.600 115.700 0.382 0.000 2.661 454 S HA 0.879 5.349 4.470 0.001 0.000 0.285 454 S C -0.852 173.992 174.600 0.407 0.000 1.138 454 S CA -0.815 57.567 58.200 0.303 0.000 0.855 454 S CB 2.361 65.620 63.200 0.099 0.000 1.136 454 S HN 0.466 nan 8.310 nan 0.000 0.484 455 F N -1.401 118.596 119.950 0.079 0.000 2.635 455 F HA 0.729 5.257 4.527 0.001 0.000 0.314 455 F C -1.029 174.725 175.800 -0.076 0.000 1.119 455 F CA -1.036 56.951 58.000 -0.021 0.000 1.000 455 F CB 1.268 40.151 39.000 -0.195 0.000 1.278 455 F HN 0.770 nan 8.300 nan 0.000 0.446 456 K N 1.519 121.920 120.400 0.002 0.000 2.118 456 K HA 0.687 5.008 4.320 0.001 0.000 0.267 456 K C -0.953 175.524 176.600 -0.204 0.000 0.991 456 K CA -0.476 55.664 56.287 -0.244 0.000 0.916 456 K CB 1.520 33.836 32.500 -0.307 0.000 1.041 456 K HN 0.862 nan 8.250 nan 0.000 0.455 457 T N 3.848 118.146 114.554 -0.425 0.000 2.770 457 T HA 0.407 4.758 4.350 0.001 0.000 0.283 457 T C -1.068 173.359 174.700 -0.455 0.000 0.988 457 T CA -0.460 61.486 62.100 -0.256 0.000 0.957 457 T CB 0.156 68.895 68.868 -0.215 0.000 0.930 457 T HN 0.264 nan 8.240 nan 0.000 0.443 458 F N 2.573 122.485 119.950 -0.065 0.000 2.361 458 F HA 0.564 5.092 4.527 0.001 0.000 0.364 458 F C 1.399 177.166 175.800 -0.055 0.000 1.117 458 F CA -0.396 57.569 58.000 -0.059 0.000 1.071 458 F CB 0.700 39.668 39.000 -0.053 0.000 1.188 458 F HN 0.901 nan 8.300 nan 0.000 0.464 459 G N 2.839 111.671 108.800 0.055 0.000 2.651 459 G HA2 -0.320 3.641 3.960 0.001 0.000 0.315 459 G HA3 -0.320 3.641 3.960 0.001 0.000 0.315 459 G C 0.860 175.763 174.900 0.005 0.000 1.258 459 G CA 0.430 45.546 45.100 0.027 0.000 1.002 459 G HN 0.521 nan 8.290 nan 0.000 0.551 460 E N 1.745 121.955 120.200 0.016 0.000 2.465 460 E HA 0.494 4.845 4.350 0.001 0.000 0.195 460 E C 1.283 177.893 176.600 0.017 0.000 1.028 460 E CA 0.579 56.980 56.400 0.003 0.000 0.899 460 E CB 0.166 29.869 29.700 0.005 0.000 1.032 460 E HN 0.847 nan 8.360 nan 0.000 0.468 461 A N 1.114 123.960 122.820 0.043 0.000 2.462 461 A HA 0.254 4.574 4.320 0.001 0.000 0.243 461 A C 0.420 178.025 177.584 0.035 0.000 1.076 461 A CA -0.197 51.870 52.037 0.050 0.000 0.773 461 A CB 0.068 19.114 19.000 0.077 0.000 1.010 461 A HN 0.179 nan 8.150 nan 0.000 0.493 462 I N 3.525 124.111 120.570 0.027 0.000 2.396 462 I HA 0.190 4.360 4.170 0.001 0.000 0.289 462 I C -2.163 173.946 176.117 -0.013 0.000 1.056 462 I CA -1.574 59.737 61.300 0.018 0.000 1.365 462 I CB 1.187 39.206 38.000 0.032 0.000 1.407 462 I HN 0.378 nan 8.210 nan 0.000 0.509 463 P HA 0.180 nan 4.420 nan 0.000 0.287 463 P C -1.911 175.203 177.300 -0.310 0.000 1.307 463 P CA -1.633 61.377 63.100 -0.151 0.000 0.777 463 P CB 0.626 32.273 31.700 -0.087 0.000 0.883 464 P HA -0.272 nan 4.420 nan 0.000 0.216 464 P C 1.083 178.048 177.300 -0.558 0.000 1.154 464 P CA 1.843 64.696 63.100 -0.412 0.000 0.865 464 P CB 0.154 31.546 31.700 -0.514 0.000 0.789 465 Q N -0.998 118.182 119.800 -1.034 0.000 2.077 465 Q HA -0.212 4.128 4.340 0.001 0.000 0.206 465 Q C 2.360 177.728 176.000 -1.053 0.000 0.989 465 Q CA 1.660 56.636 55.803 -1.379 0.000 0.853 465 Q CB -1.502 25.862 28.738 -2.290 0.000 0.907 465 Q HN 0.319 nan 8.270 nan 0.000 0.418 466 Y N 0.641 120.249 120.300 -1.154 0.000 2.181 466 Y HA -0.227 4.323 4.550 0.001 0.000 0.288 466 Y C 2.198 177.906 175.900 -0.321 0.000 1.146 466 Y CA 1.323 59.014 58.100 -0.681 0.000 1.164 466 Y CB -0.596 37.613 38.460 -0.418 0.000 0.982 466 Y HN 0.115 nan 8.280 nan 0.000 0.515 467 A N 0.393 123.081 122.820 -0.221 0.000 1.883 467 A HA -0.212 4.109 4.320 0.001 0.000 0.217 467 A C 2.320 179.816 177.584 -0.148 0.000 1.186 467 A CA 2.153 54.098 52.037 -0.152 0.000 0.624 467 A CB -1.195 17.772 19.000 -0.056 0.000 0.822 467 A HN 0.558 nan 8.150 nan 0.000 0.444 468 I N -0.859 119.648 120.570 -0.105 0.000 2.226 468 I HA -0.268 3.903 4.170 0.001 0.000 0.245 468 I C 2.564 178.678 176.117 -0.005 0.000 1.100 468 I CA 1.672 62.996 61.300 0.039 0.000 1.374 468 I CB -0.248 37.844 38.000 0.154 0.000 1.057 468 I HN 0.318 nan 8.210 nan 0.000 0.413 469 K N 0.377 120.688 120.400 -0.148 0.000 2.097 469 K HA -0.155 4.165 4.320 0.001 0.000 0.206 469 K C 2.046 178.493 176.600 -0.254 0.000 1.049 469 K CA 1.295 57.475 56.287 -0.177 0.000 0.933 469 K CB 0.014 32.385 32.500 -0.215 0.000 0.717 469 K HN 0.141 nan 8.250 nan 0.000 0.442 470 V N 1.287 120.986 119.914 -0.358 0.000 2.358 470 V HA -0.226 3.894 4.120 0.001 0.000 0.246 470 V C 2.128 178.132 176.094 -0.151 0.000 1.047 470 V CA 1.274 63.389 62.300 -0.308 0.000 1.035 470 V CB -0.338 31.270 31.823 -0.358 0.000 0.658 470 V HN 0.305 nan 8.190 nan 0.000 0.452 471 L N 0.754 121.931 121.223 -0.076 0.000 2.042 471 L HA -0.193 4.148 4.340 0.001 0.000 0.210 471 L C 2.174 179.070 176.870 0.044 0.000 1.076 471 L CA 2.419 57.279 54.840 0.033 0.000 0.749 471 L CB -0.825 41.313 42.059 0.132 0.000 0.893 471 L HN 0.392 nan 8.230 nan 0.000 0.432 472 D N -0.553 119.802 120.400 -0.075 0.000 2.104 472 D HA -0.271 4.370 4.640 0.001 0.000 0.194 472 D C 2.070 178.197 176.300 -0.289 0.000 0.994 472 D CA 1.662 55.380 54.000 -0.470 0.000 0.830 472 D CB -0.068 40.281 40.800 -0.752 0.000 0.959 472 D HN 0.587 nan 8.370 nan 0.000 0.452 473 E N -0.287 119.790 120.200 -0.204 0.000 2.023 473 E HA -0.155 4.196 4.350 0.001 0.000 0.196 473 E C 2.423 178.965 176.600 -0.096 0.000 1.003 473 E CA 0.891 57.203 56.400 -0.145 0.000 0.809 473 E CB -0.184 29.438 29.700 -0.130 0.000 0.755 473 E HN 0.330 nan 8.360 nan 0.000 0.449 474 L N 0.429 121.608 121.223 -0.075 0.000 2.353 474 L HA -0.100 4.241 4.340 0.001 0.000 0.220 474 L C 2.390 179.247 176.870 -0.022 0.000 1.133 474 L CA 1.438 56.252 54.840 -0.045 0.000 0.798 474 L CB -0.460 41.574 42.059 -0.041 0.000 0.922 474 L HN 0.312 nan 8.230 nan 0.000 0.445 475 T N -5.911 108.638 114.554 -0.008 0.000 3.069 475 T HA 0.064 4.414 4.350 0.001 0.000 0.252 475 T C 0.675 175.382 174.700 0.012 0.000 1.053 475 T CA 0.116 62.236 62.100 0.033 0.000 0.964 475 T CB 0.059 68.998 68.868 0.118 0.000 1.005 475 T HN 0.197 nan 8.240 nan 0.000 0.532 476 D N 1.513 121.885 120.400 -0.046 0.000 2.772 476 D HA -0.132 4.508 4.640 0.001 0.000 0.233 476 D C 1.161 177.418 176.300 -0.072 0.000 1.143 476 D CA 1.214 55.175 54.000 -0.065 0.000 0.700 476 D CB -1.676 39.106 40.800 -0.029 0.000 1.076 476 D HN 0.880 nan 8.370 nan 0.000 0.430 477 G N 0.263 108.972 108.800 -0.151 0.000 2.337 477 G HA2 -0.398 3.563 3.960 0.001 0.000 0.290 477 G HA3 -0.398 3.563 3.960 0.001 0.000 0.290 477 G C 0.903 175.878 174.900 0.125 0.000 1.003 477 G CA 0.929 45.935 45.100 -0.157 0.000 0.825 477 G HN 0.572 nan 8.290 nan 0.000 0.509 478 K N -0.463 120.024 120.400 0.145 0.000 2.373 478 K HA 0.506 4.827 4.320 0.001 0.000 0.202 478 K C 1.230 177.926 176.600 0.161 0.000 1.025 478 K CA 0.367 56.736 56.287 0.137 0.000 1.115 478 K CB 0.866 33.413 32.500 0.078 0.000 0.858 478 K HN 0.481 nan 8.250 nan 0.000 0.525 479 A N 1.308 124.261 122.820 0.222 0.000 2.302 479 A HA 0.464 4.784 4.320 0.001 0.000 0.285 479 A C -0.090 177.572 177.584 0.131 0.000 1.105 479 A CA -0.543 51.587 52.037 0.154 0.000 0.816 479 A CB 0.311 19.400 19.000 0.147 0.000 1.067 479 A HN 0.188 nan 8.150 nan 0.000 0.489 480 I N 2.481 123.110 120.570 0.098 0.000 2.342 480 I HA 0.191 4.361 4.170 0.001 0.000 0.291 480 I C -0.617 175.542 176.117 0.071 0.000 1.010 480 I CA -0.200 61.159 61.300 0.099 0.000 1.308 480 I CB 0.772 38.811 38.000 0.066 0.000 1.400 480 I HN 0.349 nan 8.210 nan 0.000 0.488 481 I N 5.895 126.531 120.570 0.109 0.000 2.362 481 I HA 0.271 4.441 4.170 0.001 0.000 0.289 481 I C 0.296 176.432 176.117 0.031 0.000 0.994 481 I CA -0.224 61.134 61.300 0.098 0.000 1.158 481 I CB 1.466 39.584 38.000 0.196 0.000 1.315 481 I HN 0.545 nan 8.210 nan 0.000 0.451 482 S N 4.297 119.986 115.700 -0.019 0.000 2.621 482 S HA 0.933 5.403 4.470 0.001 0.000 0.302 482 S C -0.129 174.445 174.600 -0.043 0.000 1.093 482 S CA -0.463 57.677 58.200 -0.101 0.000 1.017 482 S CB 2.542 65.666 63.200 -0.126 0.000 1.077 482 S HN 0.737 nan 8.310 nan 0.000 0.517 483 T N -1.504 113.015 114.554 -0.058 0.000 2.787 483 T HA 0.798 5.148 4.350 0.001 0.000 0.297 483 T C 0.400 175.176 174.700 0.126 0.000 1.221 483 T CA -0.369 61.765 62.100 0.057 0.000 1.006 483 T CB 0.966 69.826 68.868 -0.013 0.000 1.328 483 T HN 1.019 nan 8.240 nan 0.000 0.509 484 G N -0.343 108.653 108.800 0.327 0.000 2.630 484 G HA2 0.616 4.577 3.960 0.001 0.000 0.223 484 G HA3 0.616 4.577 3.960 0.001 0.000 0.223 484 G C -0.981 173.934 174.900 0.026 0.000 1.434 484 G CA -0.702 44.579 45.100 0.301 0.000 1.057 484 G HN 0.893 nan 8.290 nan 0.000 0.570 485 V N -0.267 119.677 119.914 0.049 0.000 2.604 485 V HA 0.839 4.960 4.120 0.001 0.000 0.305 485 V C 0.749 176.808 176.094 -0.058 0.000 1.043 485 V CA 0.754 62.993 62.300 -0.102 0.000 0.888 485 V CB 0.713 32.484 31.823 -0.088 0.000 0.995 485 V HN 1.758 nan 8.190 nan 0.000 0.429 486 G N 3.358 112.047 108.800 -0.184 0.000 2.270 486 G HA2 -0.056 3.905 3.960 0.001 0.000 0.268 486 G HA3 -0.056 3.905 3.960 0.001 0.000 0.268 486 G C 0.097 174.828 174.900 -0.282 0.000 1.312 486 G CA 0.087 45.111 45.100 -0.127 0.000 1.050 486 G HN 0.463 nan 8.290 nan 0.000 0.474 487 Q N -0.600 119.035 119.800 -0.275 0.000 2.061 487 Q HA -0.165 4.176 4.340 0.001 0.000 0.204 487 Q C 2.335 177.870 176.000 -0.775 0.000 0.984 487 Q CA 2.073 57.440 55.803 -0.727 0.000 0.846 487 Q CB -0.316 27.934 28.738 -0.813 0.000 0.902 487 Q HN 0.809 nan 8.270 nan 0.000 0.421 488 H N 0.550 119.491 119.070 -0.216 0.000 2.387 488 H HA -0.185 4.372 4.556 0.001 0.000 0.299 488 H C 1.876 177.291 175.328 0.146 0.000 1.099 488 H CA 1.774 57.926 56.048 0.173 0.000 1.315 488 H CB -0.398 29.499 29.762 0.224 0.000 1.380 488 H HN 0.389 nan 8.280 nan 0.000 0.513 489 Q N 0.246 119.633 119.800 -0.688 0.000 2.050 489 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 489 Q C 2.140 178.130 176.000 -0.017 0.000 0.980 489 Q CA 1.702 57.311 55.803 -0.323 0.000 0.840 489 Q CB 0.101 28.596 28.738 -0.404 0.000 0.898 489 Q HN 0.288 nan 8.270 nan 0.000 0.424 490 M N -0.574 118.905 119.600 -0.203 0.000 2.117 490 M HA -0.185 4.296 4.480 0.001 0.000 0.262 490 M C 1.874 178.187 176.300 0.022 0.000 1.065 490 M CA 1.228 56.427 55.300 -0.168 0.000 1.114 490 M CB -1.425 30.904 32.600 -0.452 0.000 1.361 490 M HN 0.412 nan 8.290 nan 0.000 0.408 491 W N 0.470 121.873 121.300 0.172 0.000 2.388 491 W HA 0.014 4.674 4.660 0.001 0.000 0.294 491 W C 2.672 179.383 176.519 0.320 0.000 1.212 491 W CA 1.371 58.909 57.345 0.321 0.000 1.271 491 W CB -1.487 28.112 29.460 0.232 0.000 1.126 491 W HN 0.309 nan 8.180 nan 0.000 0.535 492 A N 0.464 123.562 122.820 0.463 0.000 1.972 492 A HA -0.007 4.313 4.320 0.001 0.000 0.219 492 A C 2.241 179.985 177.584 0.267 0.000 1.169 492 A CA 2.520 54.816 52.037 0.431 0.000 0.635 492 A CB -0.830 18.480 19.000 0.516 0.000 0.810 492 A HN 0.134 nan 8.150 nan 0.000 0.446 493 A N -0.893 121.973 122.820 0.076 0.000 1.898 493 A HA -0.079 4.242 4.320 0.001 0.000 0.214 493 A C 2.122 179.651 177.584 -0.092 0.000 1.183 493 A CA 1.311 53.169 52.037 -0.298 0.000 0.622 493 A CB -0.407 18.428 19.000 -0.274 0.000 0.824 493 A HN 0.609 nan 8.150 nan 0.000 0.444 494 Q N -1.373 118.424 119.800 -0.006 0.000 2.049 494 Q HA -0.033 4.307 4.340 0.001 0.000 0.198 494 Q C 0.409 176.146 176.000 -0.439 0.000 0.971 494 Q CA 1.186 56.848 55.803 -0.235 0.000 0.833 494 Q CB -0.134 28.431 28.738 -0.288 0.000 0.896 494 Q HN 0.704 nan 8.270 nan 0.000 0.434 495 F N -0.625 119.384 119.950 0.098 0.000 2.819 495 F HA 0.250 4.777 4.527 0.001 0.000 0.294 495 F C -0.400 175.412 175.800 0.020 0.000 1.166 495 F CA -0.386 57.636 58.000 0.036 0.000 1.374 495 F CB 0.181 39.184 39.000 0.005 0.000 0.956 495 F HN -0.035 nan 8.300 nan 0.000 0.509 496 Y N 0.461 120.720 120.300 -0.068 0.000 2.470 496 Y HA 0.419 4.970 4.550 0.001 0.000 0.341 496 Y C -0.822 174.808 175.900 -0.450 0.000 1.021 496 Y CA -1.266 56.679 58.100 -0.258 0.000 1.025 496 Y CB 1.160 39.425 38.460 -0.323 0.000 1.266 496 Y HN -0.116 nan 8.280 nan 0.000 0.448 497 N N 5.638 124.025 118.700 -0.522 0.000 2.485 497 N HA 0.149 4.890 4.740 0.001 0.000 0.243 497 N C -1.695 173.668 175.510 -0.245 0.000 0.987 497 N CA -0.251 52.627 53.050 -0.286 0.000 0.940 497 N CB 0.564 38.923 38.487 -0.214 0.000 1.122 497 N HN 0.518 nan 8.380 nan 0.000 0.509 498 Y N 1.609 122.022 120.300 0.189 0.000 2.393 498 Y HA 0.125 4.675 4.550 0.001 0.000 0.338 498 Y C 1.779 177.738 175.900 0.099 0.000 1.029 498 Y CA -0.401 57.817 58.100 0.196 0.000 1.239 498 Y CB 1.025 39.568 38.460 0.137 0.000 1.170 498 Y HN 0.177 nan 8.280 nan 0.000 0.515 499 K N 1.896 122.407 120.400 0.185 0.000 2.076 499 K HA 0.061 4.381 4.320 0.001 0.000 0.204 499 K C 0.265 176.928 176.600 0.105 0.000 1.051 499 K CA 1.019 57.362 56.287 0.094 0.000 0.949 499 K CB 0.148 32.689 32.500 0.067 0.000 0.726 499 K HN 0.482 nan 8.250 nan 0.000 0.443 500 K N 0.085 120.579 120.400 0.156 0.000 2.444 500 K HA 0.449 4.770 4.320 0.001 0.000 0.252 500 K C -2.700 173.995 176.600 0.157 0.000 0.993 500 K CA -2.405 53.962 56.287 0.133 0.000 0.847 500 K CB 1.436 33.999 32.500 0.104 0.000 1.340 500 K HN -0.243 nan 8.250 nan 0.000 0.446 501 P HA 0.299 nan 4.420 nan 0.000 0.274 501 P C -0.657 176.707 177.300 0.107 0.000 1.256 501 P CA -0.155 63.014 63.100 0.116 0.000 0.795 501 P CB 0.432 32.189 31.700 0.096 0.000 1.038 502 R N -1.073 119.484 120.500 0.095 0.000 3.872 502 R HA -0.227 4.113 4.340 0.001 0.000 0.341 502 R C 0.847 177.200 176.300 0.088 0.000 1.172 502 R CA 0.645 56.788 56.100 0.072 0.000 0.901 502 R CB -2.138 28.193 30.300 0.052 0.000 1.422 502 R HN 0.597 nan 8.270 nan 0.000 0.523 503 Q N -0.673 119.210 119.800 0.139 0.000 2.378 503 Q HA 0.086 4.427 4.340 0.001 0.000 0.229 503 Q C -0.013 176.108 176.000 0.202 0.000 0.882 503 Q CA 0.024 55.948 55.803 0.201 0.000 0.936 503 Q CB 0.603 29.543 28.738 0.336 0.000 1.092 503 Q HN 0.414 nan 8.270 nan 0.000 0.535 504 W N 2.115 123.302 121.300 -0.190 0.000 2.291 504 W HA 0.436 5.096 4.660 0.001 0.000 0.312 504 W C -1.798 174.629 176.519 -0.152 0.000 1.061 504 W CA -0.427 56.701 57.345 -0.361 0.000 1.296 504 W CB 0.397 29.434 29.460 -0.704 0.000 1.223 504 W HN -0.053 nan 8.180 nan 0.000 0.421 505 L N 6.781 127.717 121.223 -0.479 0.000 2.324 505 L HA 0.354 4.694 4.340 0.001 0.000 0.274 505 L C -0.056 176.473 176.870 -0.570 0.000 1.012 505 L CA -0.329 54.286 54.840 -0.375 0.000 0.859 505 L CB 1.188 43.180 42.059 -0.112 0.000 1.224 505 L HN 0.249 nan 8.230 nan 0.000 0.429 506 S N 1.086 116.285 115.700 -0.835 0.000 2.536 506 S HA 0.348 4.818 4.470 0.001 0.000 0.271 506 S C -0.611 173.489 174.600 -0.832 0.000 1.134 506 S CA -0.417 57.260 58.200 -0.872 0.000 0.897 506 S CB 2.202 64.615 63.200 -1.310 0.000 1.094 506 S HN 0.483 nan 8.310 nan 0.000 0.473 507 S N 3.200 118.278 115.700 -1.036 0.000 2.423 507 S HA 0.410 4.880 4.470 0.001 0.000 0.302 507 S C 1.131 175.461 174.600 -0.449 0.000 1.143 507 S CA 0.111 57.776 58.200 -0.891 0.000 1.080 507 S CB -0.271 62.333 63.200 -0.993 0.000 1.081 507 S HN 0.863 nan 8.310 nan 0.000 0.522 508 G N 3.995 112.608 108.800 -0.311 0.000 2.486 508 G HA2 0.164 4.124 3.960 0.001 0.000 0.210 508 G HA3 0.164 4.124 3.960 0.001 0.000 0.210 508 G C 1.248 176.076 174.900 -0.120 0.000 1.168 508 G CA 0.417 45.422 45.100 -0.159 0.000 0.820 508 G HN 0.767 nan 8.290 nan 0.000 0.544 509 G N 0.870 109.598 108.800 -0.120 0.000 2.404 509 G HA2 -0.060 3.900 3.960 0.001 0.000 0.214 509 G HA3 -0.060 3.900 3.960 0.001 0.000 0.214 509 G C 1.697 176.544 174.900 -0.088 0.000 1.189 509 G CA 1.061 46.111 45.100 -0.083 0.000 0.789 509 G HN 0.344 nan 8.290 nan 0.000 0.533 510 L N 0.755 121.913 121.223 -0.109 0.000 2.209 510 L HA 0.356 4.697 4.340 0.001 0.000 0.207 510 L C 1.801 178.604 176.870 -0.111 0.000 1.094 510 L CA 1.530 56.315 54.840 -0.092 0.000 0.790 510 L CB -0.402 41.613 42.059 -0.073 0.000 0.932 510 L HN 0.475 nan 8.230 nan 0.000 0.447 511 G N 0.310 109.010 108.800 -0.167 0.000 2.333 511 G HA2 -0.161 3.799 3.960 0.001 0.000 0.296 511 G HA3 -0.161 3.799 3.960 0.001 0.000 0.296 511 G C 0.299 175.111 174.900 -0.147 0.000 1.059 511 G CA 0.245 45.239 45.100 -0.175 0.000 1.050 511 G HN 0.830 nan 8.290 nan 0.000 0.508 512 A N 1.203 123.918 122.820 -0.176 0.000 2.362 512 A HA 0.768 5.088 4.320 0.001 0.000 0.276 512 A C 0.825 178.362 177.584 -0.078 0.000 1.153 512 A CA -0.108 51.883 52.037 -0.076 0.000 0.813 512 A CB 0.414 19.438 19.000 0.041 0.000 1.081 512 A HN 0.639 nan 8.150 nan 0.000 0.507 513 M N 1.681 121.278 119.600 -0.005 0.000 2.226 513 M HA 0.384 4.864 4.480 0.001 0.000 0.324 513 M C 1.430 177.766 176.300 0.060 0.000 1.112 513 M CA 1.623 56.935 55.300 0.021 0.000 1.176 513 M CB 0.569 33.185 32.600 0.026 0.000 1.430 513 M HN 1.309 nan 8.290 nan 0.000 0.462 514 G N 1.232 110.060 108.800 0.048 0.000 2.159 514 G HA2 -0.302 3.659 3.960 0.001 0.000 0.256 514 G HA3 -0.302 3.659 3.960 0.001 0.000 0.256 514 G C 0.333 175.251 174.900 0.031 0.000 0.977 514 G CA 0.524 45.654 45.100 0.049 0.000 0.652 514 G HN 0.778 nan 8.290 nan 0.000 0.531 515 F N 1.717 121.454 119.950 -0.354 0.000 2.187 515 F HA 0.271 4.798 4.527 0.001 0.000 0.295 515 F C 2.379 177.960 175.800 -0.364 0.000 1.091 515 F CA 2.154 59.700 58.000 -0.757 0.000 1.308 515 F CB -0.475 37.989 39.000 -0.894 0.000 1.030 515 F HN 0.131 nan 8.300 nan 0.000 0.487 516 G N 1.286 110.019 108.800 -0.113 0.000 2.529 516 G HA2 -0.349 3.611 3.960 0.001 0.000 0.219 516 G HA3 -0.349 3.611 3.960 0.001 0.000 0.219 516 G C 1.594 176.398 174.900 -0.160 0.000 1.177 516 G CA 1.333 46.366 45.100 -0.112 0.000 0.773 516 G HN 0.415 nan 8.290 nan 0.000 0.573 517 L N 1.855 123.031 121.223 -0.078 0.000 1.994 517 L HA 0.080 4.420 4.340 0.001 0.000 0.208 517 L C 0.120 176.918 176.870 -0.120 0.000 1.071 517 L CA 1.938 56.751 54.840 -0.045 0.000 0.745 517 L CB -1.004 41.037 42.059 -0.030 0.000 0.892 517 L HN 0.135 nan 8.230 nan 0.000 0.431 518 P HA -0.111 nan 4.420 nan 0.000 0.217 518 P C 1.525 178.652 177.300 -0.289 0.000 1.150 518 P CA 1.864 64.865 63.100 -0.166 0.000 0.832 518 P CB -0.185 31.478 31.700 -0.062 0.000 0.787 519 A N 0.190 122.692 122.820 -0.529 0.000 1.940 519 A HA -0.141 4.179 4.320 0.001 0.000 0.219 519 A C 2.330 179.729 177.584 -0.309 0.000 1.176 519 A CA 2.155 53.811 52.037 -0.634 0.000 0.631 519 A CB -1.634 16.622 19.000 -1.241 0.000 0.814 519 A HN 0.198 nan 8.150 nan 0.000 0.446 520 A N -0.076 122.613 122.820 -0.220 0.000 1.933 520 A HA -0.076 4.244 4.320 0.001 0.000 0.218 520 A C 2.113 179.676 177.584 -0.035 0.000 1.175 520 A CA 1.454 53.437 52.037 -0.090 0.000 0.628 520 A CB -0.587 18.389 19.000 -0.041 0.000 0.814 520 A HN 0.508 nan 8.150 nan 0.000 0.444 521 I N -0.371 120.176 120.570 -0.039 0.000 2.163 521 I HA -0.247 3.923 4.170 0.001 0.000 0.243 521 I C 2.724 178.901 176.117 0.099 0.000 1.085 521 I CA 1.337 62.660 61.300 0.038 0.000 1.347 521 I CB -0.700 37.322 38.000 0.036 0.000 1.044 521 I HN 0.414 nan 8.210 nan 0.000 0.408 522 G N 0.267 109.066 108.800 -0.001 0.000 2.418 522 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 522 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 522 G C 1.856 176.869 174.900 0.188 0.000 1.158 522 G CA 0.798 45.975 45.100 0.128 0.000 0.771 522 G HN 0.499 nan 8.290 nan 0.000 0.545 523 A N 0.537 123.384 122.820 0.044 0.000 1.902 523 A HA -0.022 4.298 4.320 0.001 0.000 0.217 523 A C 2.633 180.239 177.584 0.035 0.000 1.181 523 A CA 2.327 54.372 52.037 0.013 0.000 0.623 523 A CB -0.806 18.184 19.000 -0.017 0.000 0.818 523 A HN 0.412 nan 8.150 nan 0.000 0.443 524 S N -0.724 115.014 115.700 0.063 0.000 2.368 524 S HA -0.113 4.358 4.470 0.001 0.000 0.224 524 S C 1.889 176.547 174.600 0.096 0.000 1.029 524 S CA 1.539 59.782 58.200 0.072 0.000 0.988 524 S CB -0.435 62.811 63.200 0.077 0.000 0.838 524 S HN 0.295 nan 8.310 nan 0.000 0.462 525 V N 1.879 121.893 119.914 0.167 0.000 2.427 525 V HA -0.079 4.041 4.120 0.001 0.000 0.248 525 V C 2.732 178.918 176.094 0.153 0.000 1.051 525 V CA 1.693 64.118 62.300 0.207 0.000 1.048 525 V CB -1.135 30.901 31.823 0.354 0.000 0.666 525 V HN 0.594 nan 8.190 nan 0.000 0.456 526 A N -0.205 122.647 122.820 0.054 0.000 2.067 526 A HA -0.014 4.307 4.320 0.001 0.000 0.217 526 A C 1.101 178.623 177.584 -0.103 0.000 1.156 526 A CA 0.889 52.796 52.037 -0.217 0.000 0.683 526 A CB -0.182 18.469 19.000 -0.581 0.000 0.808 526 A HN 0.627 nan 8.150 nan 0.000 0.455 527 N N -0.419 118.265 118.700 -0.028 0.000 2.752 527 N HA 0.190 4.930 4.740 0.001 0.000 0.260 527 N C -2.594 172.930 175.510 0.024 0.000 1.562 527 N CA -0.982 52.065 53.050 -0.005 0.000 0.788 527 N CB 1.198 39.683 38.487 -0.003 0.000 1.192 527 N HN 0.034 nan 8.380 nan 0.000 0.503 528 P HA -0.112 nan 4.420 nan 0.000 0.218 528 P C 0.577 177.899 177.300 0.036 0.000 1.146 528 P CA 1.313 64.437 63.100 0.040 0.000 0.813 528 P CB 0.414 32.138 31.700 0.039 0.000 0.778 529 D N -1.429 118.990 120.400 0.031 0.000 2.346 529 D HA 0.121 4.761 4.640 0.001 0.000 0.206 529 D C 1.062 177.382 176.300 0.034 0.000 1.001 529 D CA 0.210 54.228 54.000 0.030 0.000 0.871 529 D CB -0.192 40.624 40.800 0.027 0.000 0.943 529 D HN 0.093 nan 8.370 nan 0.000 0.518 530 A N 0.786 123.627 122.820 0.035 0.000 2.346 530 A HA 0.387 4.707 4.320 0.001 0.000 0.252 530 A C 0.289 177.901 177.584 0.046 0.000 1.089 530 A CA -0.257 51.806 52.037 0.042 0.000 0.797 530 A CB 0.303 19.329 19.000 0.043 0.000 1.047 530 A HN 0.072 nan 8.150 nan 0.000 0.494 531 I N 1.200 121.801 120.570 0.053 0.000 2.312 531 I HA 0.256 4.427 4.170 0.001 0.000 0.291 531 I C -0.765 175.386 176.117 0.058 0.000 1.031 531 I CA -0.236 61.097 61.300 0.054 0.000 1.293 531 I CB 1.233 39.269 38.000 0.060 0.000 1.403 531 I HN 0.201 nan 8.210 nan 0.000 0.484 532 V N 7.799 127.745 119.914 0.053 0.000 2.357 532 V HA 0.368 4.489 4.120 0.001 0.000 0.284 532 V C -0.081 176.044 176.094 0.052 0.000 1.018 532 V CA -0.599 61.730 62.300 0.049 0.000 0.841 532 V CB 1.768 33.617 31.823 0.043 0.000 0.991 532 V HN 0.392 nan 8.190 nan 0.000 0.437 533 V N 3.678 123.621 119.914 0.049 0.000 2.444 533 V HA 0.399 4.520 4.120 0.001 0.000 0.294 533 V C -0.559 175.567 176.094 0.053 0.000 1.022 533 V CA -0.620 61.713 62.300 0.055 0.000 0.850 533 V CB 2.055 33.913 31.823 0.059 0.000 0.992 533 V HN 0.941 nan 8.190 nan 0.000 0.426 534 D N 4.945 125.380 120.400 0.059 0.000 2.396 534 D HA 0.333 4.973 4.640 0.001 0.000 0.225 534 D C -0.195 176.158 176.300 0.087 0.000 1.121 534 D CA -0.187 53.851 54.000 0.063 0.000 0.853 534 D CB 0.749 41.588 40.800 0.065 0.000 1.043 534 D HN 0.475 nan 8.370 nan 0.000 0.500 535 I N 3.986 124.634 120.570 0.129 0.000 2.278 535 I HA 0.180 4.350 4.170 0.001 0.000 0.296 535 I C 0.449 176.720 176.117 0.257 0.000 1.121 535 I CA -0.282 61.128 61.300 0.183 0.000 1.267 535 I CB 0.413 38.564 38.000 0.251 0.000 1.447 535 I HN 0.326 nan 8.210 nan 0.000 0.509 536 D N 4.111 124.565 120.400 0.090 0.000 2.449 536 D HA 0.598 5.239 4.640 0.001 0.000 0.250 536 D C -0.070 175.905 176.300 -0.541 0.000 1.050 536 D CA -0.213 53.743 54.000 -0.074 0.000 1.024 536 D CB 2.413 43.240 40.800 0.045 0.000 1.218 536 D HN 0.491 nan 8.370 nan 0.000 0.566 537 G N -0.537 107.779 108.800 -0.806 0.000 2.454 537 G HA2 0.267 4.228 3.960 0.001 0.000 0.329 537 G HA3 0.267 4.228 3.960 0.001 0.000 0.329 537 G C 0.659 175.463 174.900 -0.161 0.000 1.177 537 G CA -0.484 44.249 45.100 -0.611 0.000 0.951 537 G HN 0.484 nan 8.290 nan 0.000 0.485 538 D N 0.215 120.579 120.400 -0.060 0.000 2.219 538 D HA -0.082 4.558 4.640 0.001 0.000 0.205 538 D C 2.001 178.324 176.300 0.039 0.000 0.970 538 D CA 1.214 55.223 54.000 0.016 0.000 0.851 538 D CB -0.494 40.315 40.800 0.014 0.000 0.943 538 D HN 0.474 nan 8.370 nan 0.000 0.488 539 G N 0.512 109.325 108.800 0.022 0.000 2.394 539 G HA2 -0.187 3.774 3.960 0.001 0.000 0.214 539 G HA3 -0.187 3.774 3.960 0.001 0.000 0.214 539 G C 1.852 176.762 174.900 0.016 0.000 1.176 539 G CA 0.833 45.944 45.100 0.018 0.000 0.786 539 G HN 0.329 nan 8.290 nan 0.000 0.533 540 S N 0.370 116.092 115.700 0.038 0.000 2.368 540 S HA -0.059 4.411 4.470 0.001 0.000 0.224 540 S C 1.892 176.513 174.600 0.034 0.000 1.029 540 S CA 0.913 59.142 58.200 0.048 0.000 0.988 540 S CB -0.368 62.898 63.200 0.111 0.000 0.838 540 S HN 0.366 nan 8.310 nan 0.000 0.462 541 F N 2.093 121.983 119.950 -0.100 0.000 2.126 541 F HA -0.049 4.478 4.527 0.001 0.000 0.299 541 F C 1.900 177.597 175.800 -0.171 0.000 1.096 541 F CA 1.063 58.990 58.000 -0.121 0.000 1.255 541 F CB -0.326 38.601 39.000 -0.122 0.000 0.997 541 F HN 0.138 nan 8.300 nan 0.000 0.479 542 I N -0.273 120.177 120.570 -0.200 0.000 2.493 542 I HA -0.302 3.868 4.170 0.001 0.000 0.254 542 I C 2.108 178.005 176.117 -0.366 0.000 1.160 542 I CA 0.908 61.971 61.300 -0.394 0.000 1.445 542 I CB -0.121 37.742 38.000 -0.228 0.000 1.086 542 I HN 0.230 nan 8.210 nan 0.000 0.433 543 M N 0.051 119.508 119.600 -0.239 0.000 2.108 543 M HA -0.205 4.276 4.480 0.001 0.000 0.261 543 M C 0.582 176.731 176.300 -0.251 0.000 1.066 543 M CA 1.540 56.722 55.300 -0.196 0.000 1.107 543 M CB -0.343 32.191 32.600 -0.110 0.000 1.356 543 M HN 0.224 nan 8.290 nan 0.000 0.406 544 N N -0.108 118.418 118.700 -0.290 0.000 2.480 544 N HA 0.114 4.855 4.740 0.001 0.000 0.281 544 N C 0.762 176.037 175.510 -0.393 0.000 1.381 544 N CA 0.058 52.937 53.050 -0.286 0.000 0.903 544 N CB 1.036 39.419 38.487 -0.172 0.000 1.274 544 N HN 0.046 nan 8.380 nan 0.000 0.505 545 V N 1.590 121.166 119.914 -0.563 0.000 2.568 545 V HA -0.228 3.893 4.120 0.001 0.000 0.253 545 V C 2.511 178.355 176.094 -0.416 0.000 1.072 545 V CA 1.884 63.731 62.300 -0.754 0.000 1.084 545 V CB -0.100 31.126 31.823 -0.995 0.000 0.676 545 V HN 0.437 nan 8.190 nan 0.000 0.469 546 Q N -0.509 119.126 119.800 -0.274 0.000 2.364 546 Q HA -0.218 4.123 4.340 0.001 0.000 0.209 546 Q C 1.482 177.434 176.000 -0.081 0.000 0.977 546 Q CA 1.660 57.385 55.803 -0.130 0.000 0.885 546 Q CB -0.610 28.086 28.738 -0.071 0.000 0.941 546 Q HN 0.619 nan 8.270 nan 0.000 0.464 547 E N 0.894 121.025 120.200 -0.114 0.000 2.478 547 E HA 0.056 4.406 4.350 0.001 0.000 0.198 547 E C 2.040 178.626 176.600 -0.024 0.000 1.046 547 E CA 0.120 56.489 56.400 -0.051 0.000 0.870 547 E CB -0.179 29.484 29.700 -0.062 0.000 0.818 547 E HN 0.444 nan 8.360 nan 0.000 0.527 548 L N 0.206 121.402 121.223 -0.045 0.000 2.083 548 L HA -0.162 4.179 4.340 0.001 0.000 0.209 548 L C 2.408 179.300 176.870 0.036 0.000 1.083 548 L CA 1.111 55.960 54.840 0.015 0.000 0.752 548 L CB -0.519 41.560 42.059 0.033 0.000 0.899 548 L HN 0.081 nan 8.230 nan 0.000 0.433 549 A N -0.297 122.540 122.820 0.029 0.000 1.908 549 A HA -0.214 4.106 4.320 0.001 0.000 0.218 549 A C 2.359 179.974 177.584 0.051 0.000 1.181 549 A CA 2.397 54.460 52.037 0.042 0.000 0.627 549 A CB -0.881 18.145 19.000 0.043 0.000 0.818 549 A HN 0.386 nan 8.150 nan 0.000 0.445 550 T N 0.406 114.993 114.554 0.056 0.000 2.674 550 T HA -0.115 4.236 4.350 0.001 0.000 0.265 550 T C 1.808 176.551 174.700 0.072 0.000 1.039 550 T CA 1.546 63.690 62.100 0.073 0.000 1.150 550 T CB -0.456 68.465 68.868 0.088 0.000 0.864 550 T HN 0.431 nan 8.240 nan 0.000 0.427 551 I N 0.918 121.527 120.570 0.066 0.000 2.151 551 I HA -0.243 3.927 4.170 0.001 0.000 0.243 551 I C 2.797 178.953 176.117 0.066 0.000 1.080 551 I CA 1.294 62.636 61.300 0.070 0.000 1.339 551 I CB -0.314 37.728 38.000 0.070 0.000 1.039 551 I HN 0.092 nan 8.210 nan 0.000 0.409 552 R N 1.282 121.817 120.500 0.058 0.000 2.061 552 R HA -0.096 4.244 4.340 0.001 0.000 0.230 552 R C 2.084 178.412 176.300 0.048 0.000 1.140 552 R CA 1.877 58.008 56.100 0.052 0.000 0.940 552 R CB -1.196 29.132 30.300 0.046 0.000 0.839 552 R HN 0.153 nan 8.270 nan 0.000 0.429 553 V N 1.721 121.663 119.914 0.046 0.000 2.469 553 V HA -0.173 3.947 4.120 0.001 0.000 0.251 553 V C 1.810 177.929 176.094 0.042 0.000 1.064 553 V CA 2.132 64.456 62.300 0.040 0.000 1.066 553 V CB -0.500 31.346 31.823 0.039 0.000 0.667 553 V HN 0.368 nan 8.190 nan 0.000 0.461 554 E N -0.796 119.435 120.200 0.053 0.000 2.478 554 E HA 0.027 4.378 4.350 0.001 0.000 0.194 554 E C 0.425 177.058 176.600 0.054 0.000 1.045 554 E CA -0.139 56.294 56.400 0.055 0.000 0.868 554 E CB -0.258 29.487 29.700 0.075 0.000 0.885 554 E HN 0.593 nan 8.360 nan 0.000 0.505 555 N N 0.870 119.602 118.700 0.053 0.000 2.696 555 N HA -0.196 4.544 4.740 0.001 0.000 0.256 555 N C -0.842 174.704 175.510 0.059 0.000 1.031 555 N CA 0.584 53.665 53.050 0.052 0.000 0.730 555 N CB -1.344 37.169 38.487 0.044 0.000 0.894 555 N HN 0.200 nan 8.380 nan 0.000 0.544 556 L N 1.116 122.379 121.223 0.068 0.000 2.295 556 L HA 0.373 4.713 4.340 0.001 0.000 0.285 556 L C -1.314 175.600 176.870 0.073 0.000 1.035 556 L CA -1.673 53.211 54.840 0.073 0.000 0.806 556 L CB 1.323 43.433 42.059 0.084 0.000 1.214 556 L HN -0.094 nan 8.230 nan 0.000 0.426 557 P HA 0.017 nan 4.420 nan 0.000 0.249 557 P C -0.157 177.190 177.300 0.078 0.000 1.686 557 P CA 0.013 63.156 63.100 0.072 0.000 0.873 557 P CB -0.146 31.590 31.700 0.061 0.000 1.828 558 V N 2.519 122.483 119.914 0.083 0.000 2.470 558 V HA 0.088 4.209 4.120 0.001 0.000 0.276 558 V C 0.903 177.059 176.094 0.104 0.000 1.040 558 V CA 0.131 62.481 62.300 0.083 0.000 1.008 558 V CB 0.470 32.339 31.823 0.078 0.000 0.990 558 V HN 0.146 nan 8.190 nan 0.000 0.477 559 K N 4.319 124.777 120.400 0.097 0.000 2.159 559 K HA 0.597 4.918 4.320 0.001 0.000 0.266 559 K C -0.850 175.810 176.600 0.100 0.000 0.975 559 K CA -0.603 55.755 56.287 0.119 0.000 0.865 559 K CB 2.134 34.689 32.500 0.092 0.000 1.087 559 K HN 0.382 nan 8.250 nan 0.000 0.446 560 V N 3.725 123.700 119.914 0.101 0.000 2.350 560 V HA 0.213 4.333 4.120 0.001 0.000 0.285 560 V C -0.430 175.668 176.094 0.008 0.000 1.014 560 V CA -0.937 61.385 62.300 0.038 0.000 0.831 560 V CB 1.290 33.103 31.823 -0.017 0.000 1.000 560 V HN 0.521 nan 8.190 nan 0.000 0.433 561 L N 6.713 127.945 121.223 0.016 0.000 2.352 561 L HA 0.494 4.834 4.340 0.001 0.000 0.272 561 L C -0.391 176.461 176.870 -0.031 0.000 1.109 561 L CA -0.224 54.626 54.840 0.017 0.000 0.952 561 L CB 0.739 42.833 42.059 0.058 0.000 1.314 561 L HN 0.625 nan 8.230 nan 0.000 0.427 562 L N 5.315 126.467 121.223 -0.119 0.000 2.342 562 L HA 0.278 4.619 4.340 0.001 0.000 0.285 562 L C -0.486 176.331 176.870 -0.089 0.000 1.095 562 L CA 0.294 55.020 54.840 -0.190 0.000 0.843 562 L CB 0.292 42.120 42.059 -0.385 0.000 1.201 562 L HN 0.445 nan 8.230 nan 0.000 0.445 563 L N 5.643 126.839 121.223 -0.046 0.000 2.375 563 L HA 0.240 4.580 4.340 0.001 0.000 0.276 563 L C 0.372 177.258 176.870 0.027 0.000 1.162 563 L CA -0.209 54.651 54.840 0.033 0.000 0.991 563 L CB -0.427 41.717 42.059 0.142 0.000 1.315 563 L HN 0.618 nan 8.230 nan 0.000 0.431 564 N N 3.387 122.098 118.700 0.020 0.000 2.401 564 N HA 0.012 4.753 4.740 0.001 0.000 0.255 564 N C 0.377 175.953 175.510 0.110 0.000 1.110 564 N CA -0.019 53.056 53.050 0.041 0.000 0.949 564 N CB 0.715 39.212 38.487 0.016 0.000 1.110 564 N HN 0.513 nan 8.380 nan 0.000 0.490 565 N N 2.772 121.569 118.700 0.161 0.000 2.197 565 N HA 0.011 4.751 4.740 0.001 0.000 0.228 565 N C -0.341 175.375 175.510 0.343 0.000 1.212 565 N CA -0.052 53.150 53.050 0.252 0.000 0.883 565 N CB 0.248 38.914 38.487 0.298 0.000 1.107 565 N HN 0.324 nan 8.380 nan 0.000 0.519 566 Q N -0.904 119.024 119.800 0.214 0.000 2.332 566 Q HA -0.238 4.103 4.340 0.001 0.000 0.222 566 Q C -0.820 175.178 176.000 -0.003 0.000 0.758 566 Q CA 1.647 57.518 55.803 0.115 0.000 1.355 566 Q CB -2.098 26.766 28.738 0.210 0.000 1.705 566 Q HN 0.760 nan 8.270 nan 0.000 0.638 567 H N -1.780 117.358 119.070 0.113 0.000 2.931 567 H HA 0.586 5.142 4.556 0.001 0.000 0.331 567 H C 0.050 175.446 175.328 0.113 0.000 1.273 567 H CA -0.849 55.280 56.048 0.135 0.000 1.171 567 H CB 0.751 30.632 29.762 0.200 0.000 1.898 567 H HN -0.036 nan 8.280 nan 0.000 0.562 568 L N 2.232 123.610 121.223 0.259 0.000 2.422 568 L HA 0.209 4.549 4.340 0.001 0.000 0.256 568 L C 1.489 178.477 176.870 0.197 0.000 1.202 568 L CA -0.217 54.726 54.840 0.170 0.000 1.119 568 L CB -0.091 42.041 42.059 0.122 0.000 1.383 568 L HN 0.965 nan 8.230 nan 0.000 0.411 569 G N 1.807 110.736 108.800 0.215 0.000 2.681 569 G HA2 -0.420 3.540 3.960 0.001 0.000 0.220 569 G HA3 -0.420 3.540 3.960 0.001 0.000 0.220 569 G C 1.359 176.339 174.900 0.134 0.000 1.210 569 G CA 1.206 46.425 45.100 0.198 0.000 0.783 569 G HN 0.519 nan 8.290 nan 0.000 0.609 570 M N 0.345 119.988 119.600 0.071 0.000 2.106 570 M HA -0.066 4.414 4.480 0.001 0.000 0.259 570 M C 2.557 178.923 176.300 0.109 0.000 1.068 570 M CA 1.411 56.740 55.300 0.049 0.000 1.100 570 M CB -0.520 32.062 32.600 -0.031 0.000 1.351 570 M HN 0.074 nan 8.290 nan 0.000 0.404 571 V N 0.621 120.582 119.914 0.078 0.000 2.427 571 V HA -0.275 3.845 4.120 0.001 0.000 0.248 571 V C 2.397 178.611 176.094 0.200 0.000 1.051 571 V CA 1.948 64.308 62.300 0.099 0.000 1.048 571 V CB -1.096 30.761 31.823 0.057 0.000 0.666 571 V HN 0.751 nan 8.190 nan 0.000 0.456 572 M N -0.066 119.650 119.600 0.194 0.000 2.229 572 M HA -0.186 4.294 4.480 0.001 0.000 0.264 572 M C 2.151 178.571 176.300 0.200 0.000 1.063 572 M CA 2.061 57.487 55.300 0.209 0.000 1.114 572 M CB -0.740 31.992 32.600 0.220 0.000 1.387 572 M HN 0.272 nan 8.290 nan 0.000 0.420 573 Q N 0.025 119.913 119.800 0.146 0.000 2.084 573 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 573 Q C 1.612 177.606 176.000 -0.009 0.000 0.978 573 Q CA 2.146 57.875 55.803 -0.124 0.000 0.844 573 Q CB -0.230 28.356 28.738 -0.254 0.000 0.898 573 Q HN 0.761 nan 8.270 nan 0.000 0.426 574 W N 1.263 122.570 121.300 0.012 0.000 2.425 574 W HA -0.048 4.612 4.660 0.001 0.000 0.277 574 W C 1.896 178.588 176.519 0.288 0.000 1.231 574 W CA 1.025 58.486 57.345 0.193 0.000 1.248 574 W CB -0.027 29.655 29.460 0.371 0.000 1.117 574 W HN 0.310 nan 8.180 nan 0.000 0.568 575 E N -0.131 120.323 120.200 0.423 0.000 2.072 575 E HA -0.191 4.159 4.350 0.001 0.000 0.191 575 E C 1.602 178.359 176.600 0.262 0.000 0.985 575 E CA 1.463 58.097 56.400 0.390 0.000 0.801 575 E CB -0.264 29.570 29.700 0.224 0.000 0.750 575 E HN 0.194 nan 8.360 nan 0.000 0.452 576 D N 0.434 120.924 120.400 0.150 0.000 2.097 576 D HA -0.117 4.524 4.640 0.001 0.000 0.197 576 D C 2.012 178.269 176.300 -0.072 0.000 0.984 576 D CA 0.865 54.919 54.000 0.090 0.000 0.826 576 D CB -0.135 40.800 40.800 0.225 0.000 0.973 576 D HN 0.032 nan 8.370 nan 0.000 0.460 577 R N -0.202 120.099 120.500 -0.331 0.000 2.090 577 R HA -0.001 4.339 4.340 0.001 0.000 0.228 577 R C 1.856 177.632 176.300 -0.873 0.000 1.110 577 R CA 0.717 56.349 56.100 -0.781 0.000 0.973 577 R CB -0.428 28.968 30.300 -1.507 0.000 0.869 577 R HN 0.347 nan 8.270 nan 0.000 0.440 578 F N -2.802 117.083 119.950 -0.108 0.000 2.706 578 F HA 0.228 4.755 4.527 0.001 0.000 0.313 578 F C 0.341 175.782 175.800 -0.598 0.000 1.096 578 F CA -0.363 57.425 58.000 -0.353 0.000 1.219 578 F CB 0.472 39.187 39.000 -0.476 0.000 1.051 578 F HN -0.137 nan 8.300 nan 0.000 0.568 579 Y N 0.319 120.705 120.300 0.142 0.000 2.696 579 Y HA 0.310 4.860 4.550 0.001 0.000 0.255 579 Y C 0.203 176.145 175.900 0.070 0.000 1.103 579 Y CA -1.507 56.666 58.100 0.122 0.000 1.126 579 Y CB -0.095 38.452 38.460 0.145 0.000 1.197 579 Y HN -0.099 nan 8.280 nan 0.000 0.574 580 K N 0.685 121.150 120.400 0.109 0.000 3.071 580 K HA -0.256 4.064 4.320 0.001 0.000 0.262 580 K C 0.841 177.496 176.600 0.092 0.000 0.977 580 K CA 0.534 56.866 56.287 0.075 0.000 0.721 580 K CB -1.440 31.100 32.500 0.067 0.000 1.293 580 K HN 0.645 nan 8.250 nan 0.000 0.475 581 A N -0.371 122.516 122.820 0.112 0.000 2.774 581 A HA -0.292 4.028 4.320 0.001 0.000 0.290 581 A C 0.220 177.867 177.584 0.105 0.000 1.484 581 A CA 1.399 53.502 52.037 0.110 0.000 0.863 581 A CB -1.522 17.522 19.000 0.072 0.000 0.989 581 A HN 0.696 nan 8.150 nan 0.000 0.554 582 N N 0.865 119.640 118.700 0.125 0.000 2.421 582 N HA 0.205 4.945 4.740 0.001 0.000 0.260 582 N C 0.294 175.835 175.510 0.051 0.000 1.173 582 N CA -0.252 52.848 53.050 0.084 0.000 0.960 582 N CB 0.232 38.777 38.487 0.097 0.000 1.273 582 N HN 0.330 nan 8.380 nan 0.000 0.497 583 R N 2.316 122.839 120.500 0.038 0.000 2.502 583 R HA 0.141 4.481 4.340 0.001 0.000 0.292 583 R C -0.491 175.757 176.300 -0.087 0.000 0.998 583 R CA 0.045 56.159 56.100 0.023 0.000 1.056 583 R CB 0.124 30.455 30.300 0.052 0.000 0.939 583 R HN 0.575 nan 8.270 nan 0.000 0.411 584 A N 4.492 127.225 122.820 -0.146 0.000 2.763 584 A HA 0.305 4.625 4.320 0.001 0.000 0.325 584 A C -0.330 176.986 177.584 -0.446 0.000 1.209 584 A CA -0.683 51.085 52.037 -0.447 0.000 0.764 584 A CB -0.014 18.811 19.000 -0.292 0.000 1.120 584 A HN 0.905 nan 8.150 nan 0.000 0.463 585 H N 0.981 120.091 119.070 0.067 0.000 2.862 585 H HA -0.180 4.376 4.556 0.001 0.000 0.290 585 H C 1.024 176.400 175.328 0.079 0.000 1.211 585 H CA 1.503 57.590 56.048 0.065 0.000 1.140 585 H CB -2.360 27.423 29.762 0.034 0.000 1.341 585 H HN 0.874 nan 8.280 nan 0.000 0.392 586 T N -3.807 110.841 114.554 0.158 0.000 3.040 586 T HA 0.160 4.510 4.350 0.001 0.000 0.250 586 T C 0.427 175.247 174.700 0.201 0.000 1.058 586 T CA -0.278 61.934 62.100 0.187 0.000 0.988 586 T CB 0.172 69.169 68.868 0.216 0.000 0.993 586 T HN 0.182 nan 8.240 nan 0.000 0.519 587 F N 2.587 122.512 119.950 -0.040 0.000 2.424 587 F HA 0.517 5.044 4.527 0.001 0.000 0.356 587 F C 0.594 176.291 175.800 -0.171 0.000 1.110 587 F CA -2.195 55.615 58.000 -0.318 0.000 1.161 587 F CB 0.637 39.476 39.000 -0.269 0.000 1.115 587 F HN -0.069 nan 8.300 nan 0.000 0.507 588 L N 5.620 126.403 121.223 -0.732 0.000 2.585 588 L HA 0.274 4.614 4.340 0.001 0.000 0.226 588 L C 1.448 177.927 176.870 -0.652 0.000 1.113 588 L CA 0.116 54.653 54.840 -0.506 0.000 0.876 588 L CB -0.722 41.198 42.059 -0.232 0.000 1.072 588 L HN 0.755 nan 8.230 nan 0.000 0.468 589 G N -0.909 106.939 108.800 -1.586 0.000 2.510 589 G HA2 0.094 4.055 3.960 0.001 0.000 0.280 589 G HA3 0.094 4.055 3.960 0.001 0.000 0.280 589 G C -1.126 173.451 174.900 -0.537 0.000 1.386 589 G CA -0.281 44.294 45.100 -0.875 0.000 1.047 589 G HN -0.038 nan 8.290 nan 0.000 0.527 590 D N -0.807 119.497 120.400 -0.160 0.000 2.274 590 D HA 0.353 4.993 4.640 0.001 0.000 0.239 590 D C -1.549 174.832 176.300 0.135 0.000 1.104 590 D CA -2.133 51.736 54.000 -0.218 0.000 0.840 590 D CB 1.890 42.332 40.800 -0.596 0.000 1.100 590 D HN -0.128 nan 8.370 nan 0.000 0.477 591 P HA -0.039 nan 4.420 nan 0.000 0.222 591 P C 0.814 178.133 177.300 0.032 0.000 1.147 591 P CA 0.856 64.039 63.100 0.138 0.000 0.790 591 P CB 0.304 32.064 31.700 0.099 0.000 0.780 592 A N -0.420 122.392 122.820 -0.014 0.000 2.015 592 A HA -0.144 4.176 4.320 0.001 0.000 0.219 592 A C 1.191 178.765 177.584 -0.018 0.000 1.163 592 A CA 1.205 53.223 52.037 -0.031 0.000 0.646 592 A CB -0.646 18.316 19.000 -0.064 0.000 0.806 592 A HN 0.297 nan 8.150 nan 0.000 0.448 593 Q N -1.407 118.390 119.800 -0.005 0.000 2.719 593 Q HA 0.425 4.766 4.340 0.001 0.000 0.376 593 Q C 0.614 176.655 176.000 0.069 0.000 0.856 593 Q CA 0.351 56.166 55.803 0.020 0.000 1.038 593 Q CB 0.228 28.973 28.738 0.013 0.000 1.418 593 Q HN 0.496 nan 8.270 nan 0.000 0.395 594 E N 1.454 121.689 120.200 0.058 0.000 2.197 594 E HA -0.278 4.073 4.350 0.001 0.000 0.205 594 E C 1.084 177.744 176.600 0.099 0.000 1.029 594 E CA 2.188 58.621 56.400 0.056 0.000 0.828 594 E CB -0.524 29.137 29.700 -0.065 0.000 0.737 594 E HN 0.494 nan 8.360 nan 0.000 0.464 595 D N -0.133 120.313 120.400 0.076 0.000 2.339 595 D HA 0.038 4.678 4.640 0.001 0.000 0.217 595 D C -0.003 176.359 176.300 0.103 0.000 1.050 595 D CA 0.056 54.106 54.000 0.084 0.000 0.856 595 D CB 0.293 41.126 40.800 0.054 0.000 0.922 595 D HN 0.409 nan 8.370 nan 0.000 0.518 596 E N 0.894 121.164 120.200 0.116 0.000 2.227 596 E HA 0.253 4.604 4.350 0.001 0.000 0.282 596 E C 0.452 177.151 176.600 0.164 0.000 1.015 596 E CA -0.476 55.996 56.400 0.120 0.000 0.823 596 E CB 1.997 31.761 29.700 0.107 0.000 1.081 596 E HN 0.141 nan 8.360 nan 0.000 0.396 597 I N 3.687 124.340 120.570 0.138 0.000 2.581 597 I HA 0.007 4.178 4.170 0.001 0.000 0.285 597 I C 0.008 176.226 176.117 0.169 0.000 1.129 597 I CA 0.305 61.685 61.300 0.134 0.000 1.397 597 I CB -0.087 37.964 38.000 0.084 0.000 1.399 597 I HN 0.286 nan 8.210 nan 0.000 0.537 598 F N 9.438 129.385 119.950 -0.006 0.000 2.547 598 F HA 0.596 5.123 4.527 0.001 0.000 0.316 598 F C -2.596 173.183 175.800 -0.034 0.000 1.121 598 F CA -2.222 55.763 58.000 -0.025 0.000 0.911 598 F CB 1.759 40.732 39.000 -0.045 0.000 1.179 598 F HN 0.217 nan 8.300 nan 0.000 0.443 599 P HA 0.167 nan 4.420 nan 0.000 0.302 599 P C -1.255 175.851 177.300 -0.323 0.000 1.307 599 P CA -0.491 61.995 63.100 -1.024 0.000 0.754 599 P CB 0.526 31.741 31.700 -0.809 0.000 1.298 600 N N 1.025 119.548 118.700 -0.294 0.000 2.767 600 N HA 0.085 4.826 4.740 0.001 0.000 0.238 600 N C 0.833 176.258 175.510 -0.141 0.000 1.083 600 N CA 0.005 52.960 53.050 -0.159 0.000 0.964 600 N CB -0.241 38.158 38.487 -0.147 0.000 1.252 600 N HN 0.195 nan 8.380 nan 0.000 0.512 601 M N 2.196 121.817 119.600 0.035 0.000 2.260 601 M HA -0.157 4.324 4.480 0.001 0.000 0.261 601 M C 1.548 177.925 176.300 0.128 0.000 1.066 601 M CA 1.030 56.476 55.300 0.244 0.000 1.082 601 M CB -0.700 31.977 32.600 0.129 0.000 1.388 601 M HN 0.494 nan 8.290 nan 0.000 0.419 602 L N -0.583 120.639 121.223 -0.003 0.000 2.079 602 L HA -0.212 4.128 4.340 0.001 0.000 0.210 602 L C 2.348 179.193 176.870 -0.042 0.000 1.081 602 L CA 0.974 55.794 54.840 -0.032 0.000 0.752 602 L CB -0.744 41.285 42.059 -0.051 0.000 0.896 602 L HN 0.272 nan 8.230 nan 0.000 0.433 603 L N -1.670 119.485 121.223 -0.113 0.000 2.217 603 L HA -0.142 4.198 4.340 0.001 0.000 0.211 603 L C 2.400 179.185 176.870 -0.141 0.000 1.107 603 L CA 0.991 55.732 54.840 -0.164 0.000 0.783 603 L CB -0.386 41.517 42.059 -0.261 0.000 0.919 603 L HN 0.147 nan 8.230 nan 0.000 0.442 604 F N -0.000 119.951 119.950 0.002 0.000 2.146 604 F HA -0.193 4.335 4.527 0.001 0.000 0.298 604 F C 2.636 178.454 175.800 0.029 0.000 1.096 604 F CA 0.889 58.901 58.000 0.020 0.000 1.275 604 F CB -0.301 38.741 39.000 0.070 0.000 1.008 604 F HN 0.034 nan 8.300 nan 0.000 0.480 605 A N 0.193 123.143 122.820 0.217 0.000 1.877 605 A HA -0.125 4.195 4.320 0.001 0.000 0.216 605 A C 2.368 179.981 177.584 0.048 0.000 1.186 605 A CA 1.698 53.803 52.037 0.112 0.000 0.620 605 A CB -1.315 17.704 19.000 0.032 0.000 0.822 605 A HN 0.313 nan 8.150 nan 0.000 0.443 606 A N -0.050 122.778 122.820 0.014 0.000 1.908 606 A HA 0.086 4.406 4.320 0.001 0.000 0.218 606 A C 2.500 180.090 177.584 0.010 0.000 1.181 606 A CA 2.296 54.329 52.037 -0.007 0.000 0.627 606 A CB -1.086 17.897 19.000 -0.029 0.000 0.818 606 A HN 1.168 nan 8.150 nan 0.000 0.445 607 A N -1.432 121.402 122.820 0.024 0.000 1.978 607 A HA -0.168 4.152 4.320 0.001 0.000 0.220 607 A C 1.820 179.431 177.584 0.045 0.000 1.170 607 A CA 1.679 53.736 52.037 0.034 0.000 0.636 607 A CB -0.949 18.087 19.000 0.060 0.000 0.810 607 A HN 0.657 nan 8.150 nan 0.000 0.448 608 C N -0.662 118.672 119.300 0.056 0.000 2.589 608 C HA 0.516 4.976 4.460 0.001 0.000 0.307 608 C C 1.643 176.656 174.990 0.038 0.000 1.328 608 C CA -0.434 58.614 59.018 0.050 0.000 1.742 608 C CB -1.303 26.474 27.740 0.062 0.000 2.037 608 C HN 1.031 nan 8.230 nan 0.000 0.592 609 G N 1.969 110.785 108.800 0.027 0.000 2.356 609 G HA2 -0.270 3.691 3.960 0.001 0.000 0.296 609 G HA3 -0.270 3.691 3.960 0.001 0.000 0.296 609 G C -0.216 174.692 174.900 0.014 0.000 1.022 609 G CA 0.130 45.240 45.100 0.017 0.000 0.961 609 G HN 0.667 nan 8.290 nan 0.000 0.510 610 I N 1.730 122.303 120.570 0.006 0.000 2.355 610 I HA 0.284 4.455 4.170 0.001 0.000 0.288 610 I C -1.689 174.377 176.117 -0.085 0.000 0.999 610 I CA -2.570 58.723 61.300 -0.012 0.000 1.163 610 I CB 2.002 40.010 38.000 0.013 0.000 1.316 610 I HN -0.060 nan 8.210 nan 0.000 0.454 611 P HA 0.147 nan 4.420 nan 0.000 0.265 611 P C -0.881 176.067 177.300 -0.588 0.000 1.193 611 P CA 0.051 63.010 63.100 -0.237 0.000 0.765 611 P CB 1.152 32.789 31.700 -0.104 0.000 0.823 612 A N 1.890 124.410 122.820 -0.500 0.000 2.587 612 A HA 0.839 5.160 4.320 0.001 0.000 0.293 612 A C -1.462 175.957 177.584 -0.276 0.000 1.087 612 A CA -0.330 51.387 52.037 -0.532 0.000 0.692 612 A CB 1.830 20.674 19.000 -0.260 0.000 1.291 612 A HN 0.656 nan 8.150 nan 0.000 0.407 613 A N 0.350 123.085 122.820 -0.142 0.000 2.594 613 A HA 0.832 5.152 4.320 0.001 0.000 0.295 613 A C -0.683 176.919 177.584 0.030 0.000 1.071 613 A CA -0.509 51.535 52.037 0.011 0.000 0.685 613 A CB 1.290 20.371 19.000 0.135 0.000 1.285 613 A HN 1.268 nan 8.150 nan 0.000 0.405 614 R N 0.463 120.980 120.500 0.027 0.000 2.604 614 R HA 0.783 5.124 4.340 0.001 0.000 0.287 614 R C -1.606 174.718 176.300 0.040 0.000 0.970 614 R CA -0.304 55.812 56.100 0.025 0.000 0.946 614 R CB 1.714 32.023 30.300 0.014 0.000 1.127 614 R HN 0.602 nan 8.270 nan 0.000 0.473 615 V N 2.776 122.713 119.914 0.038 0.000 2.709 615 V HA 0.397 4.517 4.120 0.001 0.000 0.308 615 V C -0.187 175.930 176.094 0.039 0.000 1.062 615 V CA -0.576 61.749 62.300 0.042 0.000 0.901 615 V CB 2.001 33.852 31.823 0.046 0.000 1.003 615 V HN 1.062 nan 8.190 nan 0.000 0.425 616 T N 1.621 116.198 114.554 0.038 0.000 2.980 616 T HA 0.210 4.561 4.350 0.001 0.000 0.252 616 T C 0.423 175.144 174.700 0.036 0.000 0.962 616 T CA -0.044 62.079 62.100 0.038 0.000 0.932 616 T CB 0.329 69.220 68.868 0.038 0.000 1.188 616 T HN 0.481 nan 8.240 nan 0.000 0.500 617 K N 2.142 122.562 120.400 0.034 0.000 2.213 617 K HA 0.382 4.702 4.320 0.001 0.000 0.270 617 K C 0.917 177.537 176.600 0.033 0.000 1.002 617 K CA -0.405 55.899 56.287 0.029 0.000 0.868 617 K CB 1.871 34.386 32.500 0.024 0.000 1.093 617 K HN -0.027 nan 8.250 nan 0.000 0.454 618 K N 2.624 123.038 120.400 0.023 0.000 2.218 618 K HA -0.228 4.092 4.320 0.001 0.000 0.205 618 K C 1.607 178.235 176.600 0.047 0.000 1.046 618 K CA 1.661 57.965 56.287 0.029 0.000 0.933 618 K CB -0.018 32.450 32.500 -0.053 0.000 0.728 618 K HN 0.734 nan 8.250 nan 0.000 0.454 619 A N 1.843 124.677 122.820 0.024 0.000 1.902 619 A HA -0.166 4.154 4.320 0.001 0.000 0.217 619 A C 1.046 178.656 177.584 0.044 0.000 1.181 619 A CA 1.951 54.005 52.037 0.029 0.000 0.623 619 A CB -0.360 18.648 19.000 0.014 0.000 0.818 619 A HN 0.656 nan 8.150 nan 0.000 0.443 620 D N -1.127 119.298 120.400 0.042 0.000 2.525 620 D HA 0.227 4.868 4.640 0.001 0.000 0.229 620 D C 0.879 177.207 176.300 0.047 0.000 1.202 620 D CA -0.333 53.691 54.000 0.041 0.000 0.828 620 D CB 0.027 40.846 40.800 0.032 0.000 1.008 620 D HN 0.261 nan 8.370 nan 0.000 0.493 621 L N 0.269 121.532 121.223 0.066 0.000 2.095 621 L HA 0.147 4.487 4.340 0.001 0.000 0.204 621 L C 2.178 179.073 176.870 0.042 0.000 1.080 621 L CA 1.356 56.236 54.840 0.067 0.000 0.759 621 L CB -0.257 41.869 42.059 0.113 0.000 0.914 621 L HN -0.015 nan 8.230 nan 0.000 0.439 622 R N -0.398 120.131 120.500 0.049 0.000 2.081 622 R HA -0.218 4.122 4.340 0.001 0.000 0.235 622 R C 2.278 178.577 176.300 -0.001 0.000 1.131 622 R CA 1.886 57.994 56.100 0.013 0.000 0.960 622 R CB -0.259 30.058 30.300 0.028 0.000 0.856 622 R HN 0.587 nan 8.270 nan 0.000 0.436 623 E N -0.343 119.862 120.200 0.009 0.000 2.107 623 E HA -0.152 4.198 4.350 0.001 0.000 0.191 623 E C 1.758 178.352 176.600 -0.011 0.000 0.982 623 E CA 0.926 57.326 56.400 -0.001 0.000 0.809 623 E CB -0.033 29.673 29.700 0.010 0.000 0.756 623 E HN 0.454 nan 8.360 nan 0.000 0.459 624 A N 1.484 124.306 122.820 0.004 0.000 1.851 624 A HA -0.190 4.130 4.320 0.001 0.000 0.216 624 A C 2.175 179.736 177.584 -0.037 0.000 1.195 624 A CA 1.491 53.532 52.037 0.007 0.000 0.622 624 A CB -0.786 18.237 19.000 0.038 0.000 0.831 624 A HN 0.313 nan 8.150 nan 0.000 0.444 625 I N -0.748 119.804 120.570 -0.029 0.000 2.208 625 I HA -0.317 3.854 4.170 0.001 0.000 0.245 625 I C 2.800 178.861 176.117 -0.094 0.000 1.097 625 I CA 1.921 63.190 61.300 -0.052 0.000 1.363 625 I CB -0.373 37.607 38.000 -0.034 0.000 1.051 625 I HN 0.433 nan 8.210 nan 0.000 0.413 626 Q N 0.863 120.618 119.800 -0.074 0.000 2.096 626 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 626 Q C 2.095 178.020 176.000 -0.125 0.000 0.982 626 Q CA 2.529 58.284 55.803 -0.079 0.000 0.850 626 Q CB -0.469 28.239 28.738 -0.050 0.000 0.901 626 Q HN 0.410 nan 8.270 nan 0.000 0.422 627 T N 0.634 115.098 114.554 -0.149 0.000 2.652 627 T HA -0.216 4.134 4.350 0.001 0.000 0.267 627 T C 1.669 176.089 174.700 -0.468 0.000 1.039 627 T CA 1.649 63.620 62.100 -0.215 0.000 1.153 627 T CB -0.406 68.372 68.868 -0.149 0.000 0.863 627 T HN 0.485 nan 8.240 nan 0.000 0.428 628 M N 0.614 119.803 119.600 -0.685 0.000 2.089 628 M HA -0.138 4.343 4.480 0.001 0.000 0.257 628 M C 2.015 178.026 176.300 -0.482 0.000 1.071 628 M CA 1.824 56.476 55.300 -1.080 0.000 1.096 628 M CB -0.386 31.907 32.600 -0.513 0.000 1.330 628 M HN 0.220 nan 8.290 nan 0.000 0.403 629 L N -0.045 121.029 121.223 -0.248 0.000 2.017 629 L HA -0.238 4.103 4.340 0.001 0.000 0.208 629 L C 2.122 178.932 176.870 -0.102 0.000 1.073 629 L CA 1.345 56.113 54.840 -0.120 0.000 0.745 629 L CB -1.009 41.009 42.059 -0.069 0.000 0.894 629 L HN 0.334 nan 8.230 nan 0.000 0.432 630 D N -0.830 119.499 120.400 -0.117 0.000 2.178 630 D HA -0.074 4.567 4.640 0.001 0.000 0.202 630 D C 0.818 177.083 176.300 -0.060 0.000 0.974 630 D CA 0.771 54.727 54.000 -0.073 0.000 0.841 630 D CB -0.282 40.480 40.800 -0.062 0.000 0.953 630 D HN 0.231 nan 8.370 nan 0.000 0.478 631 T N 3.755 118.246 114.554 -0.104 0.000 2.761 631 T HA 0.168 4.519 4.350 0.001 0.000 0.287 631 T C -2.355 172.364 174.700 0.032 0.000 0.931 631 T CA -1.067 61.021 62.100 -0.020 0.000 1.164 631 T CB 1.021 69.895 68.868 0.010 0.000 0.876 631 T HN -0.055 nan 8.240 nan 0.000 0.534 632 P HA 0.336 nan 4.420 nan 0.000 0.266 632 P C 0.805 178.152 177.300 0.079 0.000 1.195 632 P CA 0.801 63.932 63.100 0.051 0.000 0.768 632 P CB 0.320 32.045 31.700 0.043 0.000 0.838 633 G N 3.241 112.086 108.800 0.075 0.000 2.660 633 G HA2 -0.117 3.844 3.960 0.001 0.000 0.215 633 G HA3 -0.117 3.844 3.960 0.001 0.000 0.215 633 G C -2.974 171.996 174.900 0.118 0.000 1.345 633 G CA -1.058 44.095 45.100 0.087 0.000 0.877 633 G HN 0.404 nan 8.290 nan 0.000 0.549 634 P HA 0.480 nan 4.420 nan 0.000 0.269 634 P C -0.886 176.527 177.300 0.188 0.000 1.209 634 P CA 0.375 63.551 63.100 0.127 0.000 0.776 634 P CB 0.453 32.207 31.700 0.090 0.000 0.876 635 Y N 2.328 122.652 120.300 0.040 0.000 2.480 635 Y HA 0.489 5.039 4.550 0.001 0.000 0.329 635 Y C -1.763 174.149 175.900 0.020 0.000 1.127 635 Y CA -1.237 56.881 58.100 0.030 0.000 1.037 635 Y CB 1.482 39.956 38.460 0.024 0.000 1.320 635 Y HN 0.203 nan 8.280 nan 0.000 0.446 636 L N 7.186 128.289 121.223 -0.200 0.000 2.319 636 L HA 0.629 4.970 4.340 0.001 0.000 0.281 636 L C -2.151 174.690 176.870 -0.048 0.000 1.005 636 L CA -0.711 54.078 54.840 -0.086 0.000 0.828 636 L CB 1.244 43.225 42.059 -0.129 0.000 1.227 636 L HN 0.610 nan 8.230 nan 0.000 0.415 637 L N 4.871 126.154 121.223 0.101 0.000 2.277 637 L HA 0.490 4.830 4.340 0.001 0.000 0.284 637 L C -0.808 176.062 176.870 -0.001 0.000 1.028 637 L CA -0.096 54.820 54.840 0.126 0.000 0.835 637 L CB 1.012 43.181 42.059 0.184 0.000 1.215 637 L HN 0.673 nan 8.230 nan 0.000 0.425 638 D N 3.987 124.373 120.400 -0.024 0.000 2.365 638 D HA 0.214 4.854 4.640 0.001 0.000 0.237 638 D C -0.834 175.461 176.300 -0.009 0.000 1.190 638 D CA 0.016 53.984 54.000 -0.052 0.000 0.867 638 D CB 0.800 41.568 40.800 -0.052 0.000 1.050 638 D HN 0.276 nan 8.370 nan 0.000 0.491 639 V N 5.868 125.778 119.914 -0.008 0.000 2.348 639 V HA 0.214 4.334 4.120 0.001 0.000 0.270 639 V C 0.326 176.435 176.094 0.026 0.000 1.037 639 V CA -0.884 61.426 62.300 0.017 0.000 0.872 639 V CB 0.917 32.752 31.823 0.020 0.000 1.002 639 V HN 0.445 nan 8.190 nan 0.000 0.464 640 I N 4.481 125.073 120.570 0.037 0.000 2.416 640 I HA 0.320 4.491 4.170 0.001 0.000 0.288 640 I C 0.261 176.412 176.117 0.057 0.000 1.051 640 I CA 0.209 61.541 61.300 0.054 0.000 1.375 640 I CB 0.693 38.728 38.000 0.058 0.000 1.407 640 I HN 0.569 nan 8.210 nan 0.000 0.516 641 C N 7.361 126.707 119.300 0.077 0.000 2.707 641 C HA 0.532 4.992 4.460 0.001 0.000 0.313 641 C C -2.213 172.832 174.990 0.091 0.000 1.209 641 C CA -1.201 57.855 59.018 0.064 0.000 1.635 641 C CB 2.188 29.961 27.740 0.055 0.000 2.206 641 C HN 0.583 nan 8.230 nan 0.000 0.485 642 P HA 0.130 nan 4.420 nan 0.000 0.276 642 P C 0.409 177.730 177.300 0.034 0.000 1.235 642 P CA 0.404 63.510 63.100 0.011 0.000 0.772 642 P CB 0.361 31.987 31.700 -0.122 0.000 0.871 643 H N 4.002 123.082 119.070 0.016 0.000 2.524 643 H HA -0.069 4.487 4.556 0.001 0.000 0.282 643 H C 0.841 176.161 175.328 -0.013 0.000 1.016 643 H CA 0.739 56.795 56.048 0.013 0.000 1.270 643 H CB -0.174 29.526 29.762 -0.103 0.000 1.394 643 H HN 0.372 nan 8.280 nan 0.000 0.568 644 Q N 1.187 120.645 119.800 -0.570 0.000 2.515 644 Q HA 0.020 4.360 4.340 0.001 0.000 0.212 644 Q C -0.074 175.826 176.000 -0.166 0.000 0.970 644 Q CA 0.249 55.795 55.803 -0.428 0.000 0.941 644 Q CB 0.021 28.442 28.738 -0.528 0.000 0.998 644 Q HN 0.453 nan 8.270 nan 0.000 0.518 645 E N 1.707 121.920 120.200 0.021 0.000 2.392 645 E HA 0.126 4.476 4.350 0.001 0.000 0.264 645 E C -0.553 176.359 176.600 0.519 0.000 1.024 645 E CA 0.254 56.780 56.400 0.211 0.000 0.903 645 E CB 0.521 30.350 29.700 0.215 0.000 0.963 645 E HN 0.302 nan 8.360 nan 0.000 0.432 646 H N 0.006 119.271 119.070 0.325 0.000 2.600 646 H HA 0.310 4.866 4.556 0.001 0.000 0.357 646 H C -0.528 175.051 175.328 0.419 0.000 1.106 646 H CA -1.044 55.184 56.048 0.300 0.000 1.193 646 H CB 1.762 31.626 29.762 0.170 0.000 1.594 646 H HN 0.143 nan 8.280 nan 0.000 0.526 647 V N 5.503 125.623 119.914 0.343 0.000 2.508 647 V HA 0.128 4.248 4.120 0.001 0.000 0.281 647 V C 0.160 176.445 176.094 0.317 0.000 1.041 647 V CA 0.233 62.681 62.300 0.246 0.000 1.016 647 V CB 0.324 31.932 31.823 -0.359 0.000 0.984 647 V HN 0.451 nan 8.190 nan 0.000 0.478 648 L N 6.538 128.002 121.223 0.401 0.000 2.415 648 L HA 0.593 4.934 4.340 0.001 0.000 0.256 648 L C -2.327 174.742 176.870 0.332 0.000 1.010 648 L CA -1.761 53.288 54.840 0.348 0.000 0.826 648 L CB 3.066 45.311 42.059 0.310 0.000 1.405 648 L HN 0.419 nan 8.230 nan 0.000 0.410 649 P HA 0.258 nan 4.420 nan 0.000 0.289 649 P C -1.332 176.109 177.300 0.235 0.000 1.299 649 P CA -0.496 62.740 63.100 0.227 0.000 0.766 649 P CB 1.387 33.199 31.700 0.186 0.000 1.226 650 M N 0.323 120.007 119.600 0.140 0.000 2.255 650 M HA 0.377 4.857 4.480 0.001 0.000 0.275 650 M C -1.737 174.556 176.300 -0.012 0.000 1.050 650 M CA -0.564 54.767 55.300 0.052 0.000 0.978 650 M CB 1.348 34.013 32.600 0.107 0.000 1.761 650 M HN 0.135 nan 8.290 nan 0.000 0.479 651 I N 7.677 128.211 120.570 -0.060 0.000 2.307 651 I HA 0.374 4.544 4.170 0.001 0.000 0.289 651 I C -1.868 174.220 176.117 -0.048 0.000 1.021 651 I CA -1.795 59.485 61.300 -0.034 0.000 1.224 651 I CB 1.185 39.185 38.000 0.000 0.000 1.376 651 I HN 0.456 nan 8.210 nan 0.000 0.470 652 P HA -0.034 nan 4.420 nan 0.000 0.269 652 P C -0.127 177.146 177.300 -0.044 0.000 1.211 652 P CA -0.055 63.000 63.100 -0.074 0.000 0.781 652 P CB 0.472 32.118 31.700 -0.090 0.000 0.877 653 S N 0.694 116.385 115.700 -0.015 0.000 2.563 653 S HA 0.255 4.725 4.470 0.001 0.000 0.294 653 S C 1.589 176.186 174.600 -0.006 0.000 1.279 653 S CA 1.121 59.343 58.200 0.038 0.000 1.069 653 S CB -0.813 62.460 63.200 0.121 0.000 0.828 653 S HN 0.927 nan 8.310 nan 0.000 0.497 654 G N 2.589 111.389 108.800 0.001 0.000 2.187 654 G HA2 -0.205 3.756 3.960 0.001 0.000 0.261 654 G HA3 -0.205 3.756 3.960 0.001 0.000 0.261 654 G C 0.421 175.320 174.900 -0.002 0.000 1.000 654 G CA 0.117 45.216 45.100 -0.002 0.000 0.718 654 G HN 1.076 nan 8.290 nan 0.000 0.519 655 G N -1.578 107.221 108.800 -0.002 0.000 2.543 655 G HA2 0.678 4.639 3.960 0.001 0.000 0.290 655 G HA3 0.678 4.639 3.960 0.001 0.000 0.290 655 G C 0.049 174.967 174.900 0.031 0.000 1.310 655 G CA 0.512 45.614 45.100 0.003 0.000 1.025 655 G HN 0.515 nan 8.290 nan 0.000 0.502 656 T N -0.827 113.748 114.554 0.036 0.000 2.949 656 T HA 0.262 4.613 4.350 0.001 0.000 0.287 656 T C 0.600 175.361 174.700 0.101 0.000 1.034 656 T CA -0.332 61.813 62.100 0.073 0.000 1.018 656 T CB 1.617 70.519 68.868 0.057 0.000 1.135 656 T HN 0.334 nan 8.240 nan 0.000 0.532 657 F N 1.722 121.664 119.950 -0.014 0.000 2.333 657 F HA -0.036 4.491 4.527 0.001 0.000 0.300 657 F C 1.442 177.244 175.800 0.003 0.000 1.083 657 F CA 1.171 59.161 58.000 -0.016 0.000 1.395 657 F CB -0.543 38.424 39.000 -0.054 0.000 1.056 657 F HN 0.444 nan 8.300 nan 0.000 0.529 658 N N 0.003 118.659 118.700 -0.074 0.000 2.467 658 N HA -0.058 4.683 4.740 0.001 0.000 0.184 658 N C 0.528 175.965 175.510 -0.122 0.000 1.106 658 N CA 0.947 53.916 53.050 -0.135 0.000 0.892 658 N CB -0.215 38.263 38.487 -0.016 0.000 0.969 658 N HN 0.238 nan 8.380 nan 0.000 0.454 659 D N -0.370 119.975 120.400 -0.092 0.000 2.369 659 D HA 0.032 4.672 4.640 0.001 0.000 0.211 659 D C 0.027 176.284 176.300 -0.072 0.000 1.077 659 D CA -0.077 53.887 54.000 -0.060 0.000 0.842 659 D CB 0.064 40.846 40.800 -0.028 0.000 0.947 659 D HN -0.015 nan 8.370 nan 0.000 0.509 660 V N 1.826 121.657 119.914 -0.138 0.000 2.557 660 V HA -0.040 4.080 4.120 0.001 0.000 0.301 660 V C 0.114 176.178 176.094 -0.050 0.000 1.026 660 V CA 0.030 62.264 62.300 -0.109 0.000 1.137 660 V CB -0.007 31.686 31.823 -0.217 0.000 0.917 660 V HN 0.017 nan 8.190 nan 0.000 0.484 661 I N 6.765 127.337 120.570 0.003 0.000 2.325 661 I HA 0.263 4.434 4.170 0.001 0.000 0.291 661 I C 1.220 177.385 176.117 0.080 0.000 1.019 661 I CA 0.060 61.380 61.300 0.033 0.000 1.302 661 I CB 1.516 39.536 38.000 0.032 0.000 1.401 661 I HN 0.814 nan 8.210 nan 0.000 0.485 662 T N 0.642 115.252 114.554 0.093 0.000 3.054 662 T HA 0.371 4.721 4.350 0.001 0.000 0.255 662 T C 0.335 175.107 174.700 0.121 0.000 1.035 662 T CA -0.142 62.040 62.100 0.138 0.000 0.941 662 T CB 0.203 69.180 68.868 0.181 0.000 1.026 662 T HN 0.599 nan 8.240 nan 0.000 0.533 663 E N -0.736 119.522 120.200 0.097 0.000 2.407 663 E HA 0.583 4.933 4.350 0.001 0.000 0.279 663 E C -0.676 175.969 176.600 0.076 0.000 1.012 663 E CA -0.518 55.934 56.400 0.086 0.000 0.800 663 E CB 1.993 31.723 29.700 0.051 0.000 1.276 663 E HN 0.487 nan 8.360 nan 0.000 0.452 664 G N 1.599 110.440 108.800 0.067 0.000 2.406 664 G HA2 0.329 4.290 3.960 0.001 0.000 0.680 664 G HA3 0.329 4.290 3.960 0.001 0.000 0.680 664 G C -1.675 173.208 174.900 -0.028 0.000 1.338 664 G CA -0.217 44.897 45.100 0.024 0.000 0.941 664 G HN 0.738 nan 8.290 nan 0.000 0.633 665 D N -2.088 118.167 120.400 -0.241 0.000 2.970 665 D HA 0.590 5.230 4.640 0.001 0.000 0.344 665 D C 0.659 176.484 176.300 -0.791 0.000 1.365 665 D CA 0.191 53.761 54.000 -0.716 0.000 0.910 665 D CB 0.430 41.029 40.800 -0.334 0.000 1.445 665 D HN 1.371 nan 8.370 nan 0.000 0.532 666 G N -0.388 107.963 108.800 -0.749 0.000 3.882 666 G HA2 0.427 4.387 3.960 0.001 0.000 0.283 666 G HA3 0.427 4.387 3.960 0.001 0.000 0.283 666 G C -0.159 174.586 174.900 -0.258 0.000 1.283 666 G CA -0.427 44.465 45.100 -0.346 0.000 1.402 666 G HN 0.246 nan 8.290 nan 0.000 0.618 667 R N 0.000 120.361 120.500 -0.232 0.000 2.786 667 R HA 0.000 4.340 4.340 0.001 0.000 0.208 667 R CA 0.000 55.991 56.100 -0.182 0.000 0.921 667 R CB 0.000 30.180 30.300 -0.199 0.000 0.687 667 R HN 0.000 nan 8.270 nan 0.000 0.535